5-(4-fluoranyl-3-methyl-phenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 5-(4-fluoranyl-3-methyl-phenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 5-(4-fluoro-3-methyl-phenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-5-(4-fluoro-3-methyl-phenyl)nipecotic acid Formula: C20H21F2NO2 MolecularWeight: 345.383046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CC(CN(C2)CC3=CC=C(C=C3)F)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2CC(CN(C2)CC3=CC=C(C=C3)F)C(=O)O)F

InChI

InChI=1S/C20H21F2NO2/c1-13-8-15(4-7-19(13)22)16-9-17(20(24)25)12-23(11-16)10-14-2-5-18(21)6-3-14/h2-8,16-17H,9-12H2,1H3,(H,24,25)