1-[(5-bromanyl-2-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C22H23BrF3NO3 MolecularWeight: 486.32213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrF3NO3/c1-2-30-19-9-8-17(23)12-18(19)20(27-10-4-6-15(13-27)21(28)29)14-5-3-7-16(11-14)22(24,25)26/h3,5,7-9,11-12,15,20H,2,4,6,10,13H2,1H3,(H,28,29)