methyl 1-[1-(2,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(2,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(2,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2,4-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]isonipecotic acid methyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C20H26N2O4/c1-13-4-5-17(14(2)10-13)22-12-16(11-18(22)23)19(24)21-8-6-15(7-9-21)20(25)26-3/h4-5,10,15-16H,6-9,11-12H2,1-3H3