1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-[2-chloro-5-(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(=CC=C2)OCC3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

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