ethyl 1-[(5,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(5,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: 1-[(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: 1-(2-keto-5,6-dimethyl-1H-pyridine-3-carbonyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=C(NC2=O)C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=C(NC2=O)C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4/c1-4-31-24(30)25(13-8-12-20-10-6-5-7-11-20)14-9-15-27(17-25)23(29)21-16-18(2)19(3)26-22(21)28/h5-7,10-11,16H,4,8-9,12-15,17H2,1-3H3,(H,26,28)