3-[[2-cyano-3-(3-ethoxy-4-naphthalen-1-ylcarbonyloxy-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(3-ethoxy-4-naphthalen-1-ylcarbonyloxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[3-ethoxy-4-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[3-ethoxy-4-[1-naphthalenyl(oxo)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[3-ethoxy-4-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[3-ethoxy-4-(1-naphthoyloxy)phenyl]acryloyl]amino]benzoic acid Formula: C30H22N2O6 MolecularWeight: 506.50548

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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=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H22N2O6/c1-2-37-27-16-19(15-22(18-31)28(33)32-23-10-5-9-21(17-23)29(34)35)13-14-26(27)38-30(36)25-12-6-8-20-7-3-4-11-24(20)25/h3-17H,2H2,1H3,(H,32,33)(H,34,35)