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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)NC2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)NC2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H29N3O4/c1-4-28-20(26)16-6-5-9-23(12-16)21(27)22-17-11-19(25)24(13-17)18-8-7-14(2)15(3)10-18/h7-8,10,16-17H,4-6,9,11-13H2,1-3H3,(H,22,27)