[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-diethoxyphenyl)carbonylbenzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N)OCC

InChI

InChI=1S/C28H26N2O6/c1-4-34-24-14-13-20(16-25(24)35-5-2)26(31)22-11-6-7-12-23(22)28(33)36-18(3)27(32)30-21-10-8-9-19(15-21)17-29/h6-16,18H,4-5H2,1-3H3,(H,30,32)