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

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[[4-(6-methoxypyridin-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[[4-(6-methoxy-3-pyridyl)phenyl]methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[[4-(6-methoxypyridin-3-yl)phenyl]methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-[4-(6-methoxy-3-pyridyl)benzyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C40H41N3O4S MolecularWeight: 659.83624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)C6=CN=C(C=C6)OC)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)C6=CN=C(C=C6)OC)CC(C)(C)C(=O)O

InChI

InChI=1S/C40H41N3O4S/c1-39(2,3)48-37-32-21-31(47-25-30-17-15-28-9-7-8-10-33(28)42-30)18-19-34(32)43(35(37)22-40(4,5)38(44)45)24-26-11-13-27(14-12-26)29-16-20-36(46-6)41-23-29/h7-21,23H,22,24-25H2,1-6H3,(H,44,45)