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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-[2-(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=C2C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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