3-[[2-cyano-3-[4-methoxy-3-(4-methoxyphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[4-methoxy-3-(4-methoxyphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-methoxy-3-(4-methoxybenzoyl)oxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-methoxy-3-[(4-methoxyphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-methoxy-3-(4-methoxybenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(4-methoxy-3-p-anisoyloxy-phenyl)acryloyl]amino]benzoic acid Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C26H20N2O7/c1-33-21-9-7-17(8-10-21)26(32)35-23-13-16(6-11-22(23)34-2)12-19(15-27)24(29)28-20-5-3-4-18(14-20)25(30)31/h3-14H,1-2H3,(H,28,29)(H,30,31)