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

Systemtic Name: 5-(4-fluoranyl-3-methyl-phenyl)-1-[(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 5-(4-fluoro-3-methyl-phenyl)-1-[(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 5-(4-fluoro-3-methylphenyl)-1-[(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 5-(4-fluoro-3-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 5-(4-fluoro-3-methyl-phenyl)-1-m-anisyl-nipecotic acid Formula: C21H24FNO3 MolecularWeight: 357.418563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO3/c1-14-8-16(6-7-20(14)22)17-10-18(21(24)25)13-23(12-17)11-15-4-3-5-19(9-15)26-2/h3-9,17-18H,10-13H2,1-2H3,(H,24,25)