methyl 2-[[2-cyano-3-[3-ethoxy-4-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-cyano-3-[3-ethoxy-4-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[3-(4-benzoyloxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[3-(4-benzoyloxy-3-ethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C27H22N2O6 MolecularWeight: 470.47338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H22N2O6/c1-3-34-24-16-18(13-14-23(24)35-26(31)19-9-5-4-6-10-19)15-20(17-28)25(30)29-22-12-8-7-11-21(22)27(32)33-2/h4-16H,3H2,1-2H3,(H,29,30)