6-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 6-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 6-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 6-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 6-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 6-(3,4-dimethoxyphenyl)-1-(4-fluorobenzyl)nipecotic acid Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC(CN2CC3=CC=C(C=C3)F)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC(CN2CC3=CC=C(C=C3)F)C(=O)O)OC

InChI

InChI=1S/C21H24FNO4/c1-26-19-10-6-15(11-20(19)27-2)18-9-5-16(21(24)25)13-23(18)12-14-3-7-17(22)8-4-14/h3-4,6-8,10-11,16,18H,5,9,12-13H2,1-2H3,(H,24,25)