ethyl 1-[1-(4-acetamidophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(4-acetamidophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-acetamidophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-acetamidophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-acetamidophenyl)-5-keto-pyrrolidine-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-3-29-21(28)15-8-10-23(11-9-15)20(27)16-12-19(26)24(13-16)18-6-4-17(5-7-18)22-14(2)25/h4-7,15-16H,3,8-13H2,1-2H3,(H,22,25)