[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] (3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H25N3O4/c1-15-4-8-19(9-5-15)25-13-16(12-21(25)27)22(28)29-14-20(26)23-17-6-10-18(11-7-17)24(2)3/h4-11,16H,12-14H2,1-3H3,(H,23,26)/t16-/m0/s1