[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H20N2O4/c1-14-8-9-15(2)18(12-14)20(25)16-6-3-4-7-17(16)21(26)27-13-19(24)23-11-5-10-22/h3-4,6-9,12H,5,11,13H2,1-2H3,(H,23,24)