4-[1-pentyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]benzoic acid

Systemtic Name: 4-[1-pentyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]benzoic acid Openeye Name: 4-[1-pentyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidyl]benzoic acid CAS Name: 4-[1-pentyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidinyl]benzoic acid IUPAC Name: 4-[1-pentyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]benzoic acid Traditional Name: 4-[1-amyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidyl]benzoic acid Formula: C25H30F3NO3 MolecularWeight: 449.50581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCN1CCC(C(C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H30F3NO3/c1-2-3-4-14-29-15-13-23(18-5-7-19(8-6-18)24(30)31)20(16-29)17-32-22-11-9-21(10-12-22)25(26,27)28/h5-12,20,23H,2-4,13-17H2,1H3,(H,30,31)