2-[[(E)-2-cyano-3-[3-ethoxy-4-(4-methylphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(4-methylphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(4-methylbenzoyl)oxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(4-methylphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(4-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-p-toluoyloxy-phenyl)acryloyl]amino]benzoic acid 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)O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O6/c1-3-34-24-15-18(10-13-23(24)35-27(33)19-11-8-17(2)9-12-19)14-20(16-28)25(30)29-22-7-5-4-6-21(22)26(31)32/h4-15H,3H2,1-2H3,(H,29,30)(H,31,32)/b20-14+