5-(4-fluoranyl-3-methyl-phenyl)-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 5-(4-fluoranyl-3-methyl-phenyl)-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 1-benzyl-5-(4-fluoro-3-methyl-phenyl)piperidine-3-carboxylic acid CAS Name: 5-(4-fluoro-3-methylphenyl)-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-benzyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-benzyl-5-(4-fluoro-3-methyl-phenyl)nipecotic acid Formula: C20H22FNO2 MolecularWeight: 327.392583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO2/c1-14-9-16(7-8-19(14)21)17-10-18(20(23)24)13-22(12-17)11-15-5-3-2-4-6-15/h2-9,17-18H,10-13H2,1H3,(H,23,24)