3-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-[(5-methyl-2-pyridyl)methoxy]-1-[[4-[6-(trifluoromethyl)-2-pyridyl]phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-[(5-methyl-2-pyridinyl)methoxy]-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-[(5-methyl-2-pyridyl)methoxy]-1-[4-[6-(trifluoromethyl)-2-pyridyl]benzyl]indol-2-yl]-2,2-dimethyl-propionic acid Formula: C37H38F3N3O3S MolecularWeight: 661.77613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)C5=NC(=CC=C5)C(F)(F)F

Isomeric SMILES

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)C5=NC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C37H38F3N3O3S/c1-23-10-15-26(41-20-23)22-46-27-16-17-30-28(18-27)33(47-35(2,3)4)31(19-36(5,6)34(44)45)43(30)21-24-11-13-25(14-12-24)29-8-7-9-32(42-29)37(38,39)40/h7-18,20H,19,21-22H2,1-6H3,(H,44,45)