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

Systemtic Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-indolin-1-yl-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-indolin-1-yl-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N3CCC4=CC=CC=C43)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N3CCC4=CC=CC=C43)OC

InChI

InChI=1S/C27H22N2O4/c1-18-6-5-8-21(14-18)27(31)33-24-11-10-19(16-25(24)32-2)15-22(17-28)26(30)29-13-12-20-7-3-4-9-23(20)29/h3-11,14-16H,12-13H2,1-2H3/b22-15+