ethyl (3R)-1-(2,6-dimethylpyrimidin-4-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(2,6-dimethylpyrimidin-4-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NC(=N2)C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC(=NC(=N2)C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-4-30-23(29)24(13-8-12-20-10-6-5-7-11-20)14-9-15-27(17-24)22(28)21-16-18(2)25-19(3)26-21/h5-7,10-11,16H,4,8-9,12-15,17H2,1-3H3/t24-/m1/s1