ethyl (3R)-1-(2-azanyl-6-methyl-pyrimidin-4-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(2-azanyl-6-methyl-pyrimidin-4-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(2-amino-6-methyl-4-pyrimidinyl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2-amino-6-methylpyrimidine-4-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3R)-1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-3-30-21(29)23(12-7-11-18-9-5-4-6-10-18)13-8-14-27(16-23)20(28)19-15-17(2)25-22(24)26-19/h4-6,9-10,15H,3,7-8,11-14,16H2,1-2H3,(H2,24,25,26)/t23-/m1/s1