[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-butylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-butylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] (3S)-1-(4-butylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-butylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] (3S)-1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-butylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H30N2O4/c1-4-5-6-19-8-11-22(12-9-19)27-15-20(14-24(27)29)25(30)31-16-23(28)26-21-10-7-17(2)18(3)13-21/h7-13,20H,4-6,14-16H2,1-3H3,(H,26,28)/t20-/m0/s1