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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]pipecolinic acid Formula: C22H23ClF3NO4 MolecularWeight: 457.87053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H23ClF3NO4/c1-30-14-7-9-19(31-2)15(12-14)20(27-10-4-3-5-18(27)21(28)29)13-6-8-17(23)16(11-13)22(24,25)26/h6-9,11-12,18,20H,3-5,10H2,1-2H3,(H,28,29)