4-[[4-[6-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1,3-benzoxazol-2-yl]-1,3-thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid

Systemtic Name: 4-[[4-[6-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1,3-benzoxazol-2-yl]-1,3-thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid Openeye Name: 4-[[4-[6-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1,3-benzoxazol-2-yl]thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid CAS Name: 4-[[4-[6-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1,3-benzoxazol-2-yl]-2-thiazolyl]-(cyclohexylmethyl)amino]benzoic acid IUPAC Name: 4-[[4-[6-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1,3-benzoxazol-2-yl]-1,3-thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid Traditional Name: 4-[[4-[6-[2,4-bis(trifluoromethyl)benzyl]oxy-1,3-benzoxazol-2-yl]thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid Formula: C33H27F6N3O4S MolecularWeight: 675.640599

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(C2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=NC5=C(O4)C=C(C=C5)OCC6=C(C=C(C=C6)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)CN(C2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=NC5=C(O4)C=C(C=C5)OCC6=C(C=C(C=C6)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C33H27F6N3O4S/c34-32(35,36)22-9-6-21(25(14-22)33(37,38)39)17-45-24-12-13-26-28(15-24)46-29(40-26)27-18-47-31(41-27)42(16-19-4-2-1-3-5-19)23-10-7-20(8-11-23)30(43)44/h6-15,18-19H,1-5,16-17H2,(H,43,44)