[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H24N2O4/c1-19-15-20(2)17-22(16-19)29(14-8-13-28)25(30)18-33-27(32)24-12-7-6-11-23(24)26(31)21-9-4-3-5-10-21/h3-7,9-12,15-17H,8,14,18H2,1-2H3