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

Systemtic Name: 3-[[2-cyano-3-[3-ethoxy-4-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-benzoyloxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-benzoyloxy-3-ethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H20N2O6/c1-2-33-23-14-17(11-12-22(23)34-26(32)18-7-4-3-5-8-18)13-20(16-27)24(29)28-21-10-6-9-19(15-21)25(30)31/h3-15H,2H2,1H3,(H,28,29)(H,30,31)