ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(4-fluorobenzyl)-1-p-anisoyl-nipecotic acid ethyl ester Formula: C23H26FNO4 MolecularWeight: 399.455243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FNO4/c1-3-29-22(27)23(15-17-5-9-19(24)10-6-17)13-4-14-25(16-23)21(26)18-7-11-20(28-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3/t23-/m0/s1