ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(3-pyridin-3-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(3-pyridin-3-ylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-[3-(3-pyridyl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(2-fluorophenyl)methyl]-1-[1-oxo-3-(3-pyridinyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(3-pyridin-3-ylpropanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-fluorobenzyl)-1-[3-(3-pyridyl)propanoyl]nipecotic acid ethyl ester Formula: C23H27FN2O3 MolecularWeight: 398.470483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=CN=CC=C2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCC2=CN=CC=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C23H27FN2O3/c1-2-29-22(28)23(15-19-8-3-4-9-20(19)24)12-6-14-26(17-23)21(27)11-10-18-7-5-13-25-16-18/h3-5,7-9,13,16H,2,6,10-12,14-15,17H2,1H3/t23-/m0/s1