[4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-indolin-1-yl-3-oxo-prop-1-enyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-indolin-1-yl-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20N2O4/c1-31-24-16-18(11-12-23(24)32-26(30)20-8-3-2-4-9-20)15-21(17-27)25(29)28-14-13-19-7-5-6-10-22(19)28/h2-12,15-16H,13-14H2,1H3/b21-15+