[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 2-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 2-(2-ketopyrrolidino)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2N3CCCC3=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2N3CCCC3=O)C

InChI

InChI=1S/C24H25N3O4/c1-17-13-18(2)15-19(14-17)26(12-6-10-25)23(29)16-31-24(30)20-7-3-4-8-21(20)27-11-5-9-22(27)28/h3-4,7-8,13-15H,5-6,9,11-12,16H2,1-2H3