[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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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)N(C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-15-9-10-16(2)19(13-15)21(26)17-7-4-5-8-18(17)22(27)28-14-20(25)24(3)12-6-11-23/h4-5,7-10,13H,6,12,14H2,1-3H3