1-[(3,5-dimethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-fluorophenyl)methyl]isonipecotic acid Formula: C21H24FNO2 MolecularWeight: 341.419163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H24FNO2/c1-14-10-15(2)12-18(11-14)20(17-4-3-5-19(22)13-17)23-8-6-16(7-9-23)21(24)25/h3-5,10-13,16,20H,6-9H2,1-2H3,(H,24,25)