4-[(E)-2-cyano-3-(1-methyl-2-phenyl-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-(1-methyl-2-phenyl-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(1-methyl-2-phenyl-indol-3-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(1-methyl-2-phenyl-3-indolyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(1-methyl-2-phenylindol-3-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(1-methyl-2-phenyl-indol-3-yl)prop-1-enyl]benzoic acid Formula: C26H18N2O3 MolecularWeight: 406.43272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)/C(=C/C4=CC=C(C=C4)C(=O)O)/C#N

InChI

InChI=1S/C26H18N2O3/c1-28-22-10-6-5-9-21(22)23(24(28)18-7-3-2-4-8-18)25(29)20(16-27)15-17-11-13-19(14-12-17)26(30)31/h2-15H,1H3,(H,30,31)/b20-15+