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

Systemtic Name: ethyl (3R)-1-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3R)-1-(2-keto-4,6-dimethyl-1H-pyridine-3-carbonyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(C=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)21-18(2)16-19(3)26-22(21)28/h5-7,10-11,16H,4,8-9,12-15,17H2,1-3H3,(H,26,28)/t25-/m1/s1