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

Systemtic Name: 3-[[2-cyano-3-[3-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[4-(2-anilino-2-oxo-ethoxy)-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[4-(2-anilino-2-keto-ethoxy)-3-methoxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H21N3O6/c1-34-23-13-17(10-11-22(23)35-16-24(30)28-20-7-3-2-4-8-20)12-19(15-27)25(31)29-21-9-5-6-18(14-21)26(32)33/h2-14H,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)