1-[(2,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C22H24F3NO4 MolecularWeight: 423.42547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C22H24F3NO4/c1-29-17-7-8-18(19(13-17)30-2)20(26-11-9-15(10-12-26)21(27)28)14-3-5-16(6-4-14)22(23,24)25/h3-8,13,15,20H,9-12H2,1-2H3,(H,27,28)