[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)OCC

InChI

InChI=1S/C31H28N2O6/c1-3-37-28-15-14-21(18-29(28)38-4-2)30(35)23-11-5-6-12-24(23)31(36)39-20-27(34)25-19-33(17-9-16-32)26-13-8-7-10-22(25)26/h5-8,10-15,18-19H,3-4,9,17,20H2,1-2H3