[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-16-8-10-18(11-9-16)24(13-5-12-22)20(25)15-27-21(26)17-6-4-7-19(14-17)23(2)3/h4,6-11,14H,5,13,15H2,1-3H3