ethyl 1-[1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(2,5-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]nipecotic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H28N2O4/c1-4-27-21(26)16-6-5-9-22(12-16)20(25)17-11-19(24)23(13-17)18-10-14(2)7-8-15(18)3/h7-8,10,16-17H,4-6,9,11-13H2,1-3H3