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

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C27H26F3NO3 MolecularWeight: 469.49545

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C27H26F3NO3/c28-27(29,30)21-15-13-20(14-16-21)25(31-17-7-6-11-23(31)26(32)33)22-10-4-5-12-24(22)34-18-19-8-2-1-3-9-19/h1-5,8-10,12-16,23,25H,6-7,11,17-18H2,(H,32,33)