2-methyl-5-[(3R)-1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-3-yl]benzoic acid

Systemtic Name: 2-methyl-5-[(3R)-1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-3-yl]benzoic acid Openeye Name: 2-methyl-5-[(3R)-1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]-3-piperidyl]benzoic acid CAS Name: 2-methyl-5-[(3R)-1-[oxo-[[4-(trifluoromethyl)phenyl]methoxy]methyl]-3-piperidinyl]benzoic acid IUPAC Name: 2-methyl-5-[(3R)-1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-3-yl]benzoic acid Traditional Name: 2-methyl-5-[(3R)-1-[4-(trifluoromethyl)benzyl]oxycarbonyl-3-piperidyl]benzoic acid Formula: C22H22F3NO4 MolecularWeight: 421.40959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CCCN(C2)C(=O)OCC3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H]2CCCN(C2)C(=O)OCC3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H22F3NO4/c1-14-4-7-16(11-19(14)20(27)28)17-3-2-10-26(12-17)21(29)30-13-15-5-8-18(9-6-15)22(23,24)25/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,27,28)/t17-/m0/s1