Methyl 2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetate - CAS 62995-58-8
Catalog: |
BB031925 |
Product Name: |
Methyl 2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetate |
CAS: |
62995-58-8 |
Synonyms: |
2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid methyl ester; methyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate |
Description: | Methyl 2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetate (CAS# 62995-58-8 ) is a useful research chemical. |
Molecular Weight: | 309.32 |
Molecular Formula: | C18H15NO4 |
Canonical SMILES: | COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C18H15NO4/c1-22-18(21)17(20)15-10-19-16-8-7-13(9-14(15)16)23-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3 |
InChI Key: | IBFQRCJXZZIXGG-UHFFFAOYSA-N |
LogP: | 3.10260 |
Publication Number | Title | Priority Date |
CA-2409355-A1 | Neuroprotective and anti-proliferative compounds | 20000519 |
EP-1283836-A2 | Neuroprotective and anti-proliferative compounds | 20000519 |
US-2004102467-A1 | Neuroprotective and anti-proliferative compounds | 20000519 |
US-2004220202-A1 | Neuroprotective and anti-proliferative compounds | 20000519 |
US-7129250-B2 | Neuroprotective and anti-proliferative compounds | 20000519 |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.10010796 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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