Methyl 5-(Benzyloxy)indole-3-carboxylate - CAS 173844-39-8
Catalog: |
BB012964 |
Product Name: |
Methyl 5-(Benzyloxy)indole-3-carboxylate |
CAS: |
173844-39-8 |
Synonyms: |
5-phenylmethoxy-1H-indole-3-carboxylic acid methyl ester; methyl 5-phenylmethoxy-1H-indole-3-carboxylate |
IUPAC Name: | methyl 5-phenylmethoxy-1H-indole-3-carboxylate |
Description: | Methyl 5-(Benzyloxy)indole-3-carboxylate (CAS# 173844-39-8) is a useful research chemical. |
Molecular Weight: | 281.31 |
Molecular Formula: | C17H15NO3 |
Canonical SMILES: | COC(=O)C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C17H15NO3/c1-20-17(19)15-10-18-16-8-7-13(9-14(15)16)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3 |
InChI Key: | IASVXJHDAWPZFM-UHFFFAOYSA-N |
Boiling Point: | 472.3 °C at 760 mmHg |
Density: | 1.253 g/cm3 |
LogP: | 3.53350 |
Publication Number | Title | Priority Date |
CA-2091257-A1 | Substituted bicyclic aryl compounds exhibiting selective leukotriene b4 antagonists activity | 19900910 |
EP-0548250-A1 | SUBSTITUTED BICYCLIC ARYL COMPOUNDS HAVING SELECTIVE ANTAGONIST ACTIVITY AGAINST LEUCOTRIENS B4. | 19900910 |
EP-0548250-A4 | Substituted bicyclic aryl compounds exhibiting selective leukotriene b 4? antagonist activity | 19900910 |
EP-0548250-B1 | Substituted bicyclic aryl compounds exhibiting selective leukotriene b4 antagonist activity | 19900910 |
JP-3334087-B2 | Substituted bicyclic aryl compounds showing selective leukotriene B (4) antagonist activity | 19900910 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.10519334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 51.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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