5-[[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-(cyclopropylmethyl)piperidin-1-yl]methyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-(cyclopropylmethyl)piperidin-1-yl]methyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-(cyclopropylmethyl)-1-piperidyl]methyl]-2-fluoro-benzoic acid CAS Name: 5-[[4-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-oxomethyl]-4-(cyclopropylmethyl)-1-piperidinyl]methyl]-2-fluorobenzoic acid IUPAC Name: 5-[[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-(cyclopropylmethyl)piperidin-1-yl]methyl]-2-fluorobenzoic acid Traditional Name: 5-[[4-[[3,5-bis(trifluoromethyl)benzyl]carbamoyl]-4-(cyclopropylmethyl)piperidino]methyl]-2-fluoro-benzoic acid Formula: C27H27F7N2O3 MolecularWeight: 560.503702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2(CCN(CC2)CC3=CC(=C(C=C3)F)C(=O)O)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC1CC2(CCN(CC2)CC3=CC(=C(C=C3)F)C(=O)O)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H27F7N2O3/c28-22-4-3-17(11-21(22)23(37)38)15-36-7-5-25(6-8-36,13-16-1-2-16)24(39)35-14-18-9-19(26(29,30)31)12-20(10-18)27(32,33)34/h3-4,9-12,16H,1-2,5-8,13-15H2,(H,35,39)(H,37,38)