1-[(4-dimethylaminophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(2-fluorophenyl)methyl]nipecotic acid Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25FN2O2/c1-23(2)17-11-9-15(10-12-17)20(18-7-3-4-8-19(18)22)24-13-5-6-16(14-24)21(25)26/h3-4,7-12,16,20H,5-6,13-14H2,1-2H3,(H,25,26)