ethyl 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H28N2O4/c1-4-27-21(26)16-7-9-22(10-8-16)20(25)17-12-19(24)23(13-17)18-6-5-14(2)15(3)11-18/h5-6,11,16-17H,4,7-10,12-13H2,1-3H3/t17-/m0/s1