1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C27H25ClF3NO3 MolecularWeight: 503.94051

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H25ClF3NO3/c28-22-14-13-19(16-21(22)27(29,30)31)25(32-15-7-6-11-23(32)26(33)34)20-10-4-5-12-24(20)35-17-18-8-2-1-3-9-18/h1-5,8-10,12-14,16,23,25H,6-7,11,15,17H2,(H,33,34)