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

Systemtic Name: 3-[3-tert-butylsulfanyl-5-[(6-fluoranylquinolin-2-yl)methoxy]-1-[[4-(4-methoxypyridin-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-[(6-fluoro-2-quinolyl)methoxy]-1-[[4-(4-methoxy-2-pyridyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-[(6-fluoro-2-quinolinyl)methoxy]-1-[[4-(4-methoxy-2-pyridinyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-[(6-fluoroquinolin-2-yl)methoxy]-1-[[4-(4-methoxypyridin-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-[(6-fluoro-2-quinolyl)methoxy]-1-[4-(4-methoxy-2-pyridyl)benzyl]indol-2-yl]-2,2-dimethyl-propionic acid Formula: C40H40FN3O4S MolecularWeight: 677.826703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=C(C=C3)C=C(C=C4)F)CC5=CC=C(C=C5)C6=NC=CC(=C6)OC)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=C(C=C3)C=C(C=C4)F)CC5=CC=C(C=C5)C6=NC=CC(=C6)OC)CC(C)(C)C(=O)O

InChI

InChI=1S/C40H40FN3O4S/c1-39(2,3)49-37-32-20-31(48-24-29-13-11-27-19-28(41)12-15-33(27)43-29)14-16-35(32)44(36(37)22-40(4,5)38(45)46)23-25-7-9-26(10-8-25)34-21-30(47-6)17-18-42-34/h7-21H,22-24H2,1-6H3,(H,45,46)