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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methyl]nipecotic acid Formula: C21H21ClF3NO3 MolecularWeight: 427.84455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClF3NO3/c1-29-16-7-4-13(5-8-16)19(26-10-2-3-15(12-26)20(27)28)14-6-9-18(22)17(11-14)21(23,24)25/h4-9,11,15,19H,2-3,10,12H2,1H3,(H,27,28)