ethyl 1-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-phenethyl-piperidine-3-carboxylate CAS Name: 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-oxomethyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-phenethylpiperidine-3-carboxylate Traditional Name: 1-(2-keto-4,6-dimethyl-1H-pyridine-3-carbonyl)-3-phenethyl-nipecotic acid ethyl ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(C=C(NC2=O)C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(C=C(NC2=O)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-4-30-23(29)24(13-11-19-9-6-5-7-10-19)12-8-14-26(16-24)22(28)20-17(2)15-18(3)25-21(20)27/h5-7,9-10,15H,4,8,11-14,16H2,1-3H3,(H,25,27)