Ethyl 2-(N-Boc-formamido)-3-[4-(benzyloxy)phenyl]-3-phenylacrylate - CAS 2006281-58-7
Catalog: |
BB015624 |
Product Name: |
Ethyl 2-(N-Boc-formamido)-3-[4-(benzyloxy)phenyl]-3-phenylacrylate |
CAS: |
2006281-58-7 |
Synonyms: |
2-[formyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenyl-3-(4-phenylmethoxyphenyl)-2-propenoic acid ethyl ester; ethyl 2-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enoate |
IUPAC Name: | ethyl 2-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enoate |
Description: | Ethyl 2-(N-Boc-formamido)-3-[4-(benzyloxy)phenyl]-3-phenylacrylate (CAS# 2006281-58-7 ) is a useful research chemical. |
Molecular Weight: | 501.57 |
Molecular Formula: | C30H31NO6 |
Canonical SMILES: | CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)N(C=O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C30H31NO6/c1-5-35-28(33)27(31(21-32)29(34)37-30(2,3)4)26(23-14-10-7-11-15-23)24-16-18-25(19-17-24)36-20-22-12-8-6-9-13-22/h6-19,21H,5,20H2,1-4H3 |
InChI Key: | ULBRBWINARXKIM-UHFFFAOYSA-N |
Complexity: | 780 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 501.21513771 |
Formal Charge: | 0 |
Heavy Atom Count: | 37 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 501.21513771 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 82.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 6.7 |
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