1-[(3-fluoranyl-4-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(p-tolyl)methyl]nipecotic acid Formula: C21H24FNO3 MolecularWeight: 357.418563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H24FNO3/c1-14-5-7-15(8-6-14)20(16-9-10-19(26-2)18(22)12-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25)