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

Systemtic Name: ethyl 1-[[1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate CAS Name: 1-[[[1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[[1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]carbamoyl]isonipecotic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H29N3O4/c1-4-28-20(26)16-7-9-23(10-8-16)21(27)22-17-12-19(25)24(13-17)18-6-5-14(2)15(3)11-18/h5-6,11,16-17H,4,7-10,12-13H2,1-3H3,(H,22,27)