4-[methyl-[[4-oxidanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]amino]benzoic acid

Systemtic Name: 4-[methyl-[[4-oxidanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]amino]benzoic acid Openeye Name: 4-[[4-hydroxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-4-piperidyl]methyl-methyl-amino]benzoic acid CAS Name: 4-[[4-hydroxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-4-piperidinyl]methyl-methylamino]benzoic acid IUPAC Name: 4-[[4-hydroxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl-methylamino]benzoic acid Traditional Name: 4-[[4-hydroxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-4-piperidyl]methyl-methyl-amino]benzoic acid Formula: C23H27F3N2O3 MolecularWeight: 436.46729

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27F3N2O3/c1-27(20-8-4-18(5-9-20)21(29)30)16-22(31)11-14-28(15-12-22)13-10-17-2-6-19(7-3-17)23(24,25)26/h2-9,31H,10-16H2,1H3,(H,29,30)