1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C29H29ClF3NO5 MolecularWeight: 563.99247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC(=C(C=C3)Cl)C(F)(F)F)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC(=C(C=C3)Cl)C(F)(F)F)N4CCCCC4C(=O)O

InChI

InChI=1S/C29H29ClF3NO5/c1-37-24-15-20(16-25(38-2)27(24)39-17-18-8-4-3-5-9-18)26(34-13-7-6-10-23(34)28(35)36)19-11-12-22(30)21(14-19)29(31,32)33/h3-5,8-9,11-12,14-16,23,26H,6-7,10,13,17H2,1-2H3,(H,35,36)