ethyl (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotic acid ethyl ester Formula: C20H22F3N3O3 MolecularWeight: 409.40219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3O3/c1-3-29-18(27)14-7-5-9-26(12-14)19-24-16(11-17(25-19)20(21,22)23)13-6-4-8-15(10-13)28-2/h4,6,8,10-11,14H,3,5,7,9,12H2,1-2H3/t14-/m0/s1