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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-m-phenetyl-methyl]nipecotic acid Formula: C22H23ClF3NO3 MolecularWeight: 441.87113

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H23ClF3NO3/c1-2-30-17-7-3-5-14(11-17)20(27-10-4-6-16(13-27)21(28)29)15-8-9-19(23)18(12-15)22(24,25)26/h3,5,7-9,11-12,16,20H,2,4,6,10,13H2,1H3,(H,28,29)