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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C22H23ClF3NO4/c1-30-18-8-6-14(11-19(18)31-2)20(27-9-3-4-15(12-27)21(28)29)13-5-7-17(23)16(10-13)22(24,25)26/h5-8,10-11,15,20H,3-4,9,12H2,1-2H3,(H,28,29)