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

Systemtic Name: 3-[3-tert-butylsulfanyl-5-(quinolin-2-ylmethoxy)-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-(2-quinolylmethoxy)-1-[[4-[5-(trifluoromethyl)-2-pyridyl]phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-(2-quinolinylmethoxy)-1-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-(quinolin-2-ylmethoxy)-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-(2-quinolylmethoxy)-1-[4-[5-(trifluoromethyl)-2-pyridyl]benzyl]indol-2-yl]-2,2-dimethyl-propionic acid Formula: C40H38F3N3O3S MolecularWeight: 697.80823

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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=NC=C(C=C6)C(F)(F)F)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=NC=C(C=C6)C(F)(F)F)CC(C)(C)C(=O)O

InChI

InChI=1S/C40H38F3N3O3S/c1-38(2,3)50-36-31-20-30(49-24-29-16-14-26-8-6-7-9-33(26)45-29)17-19-34(31)46(35(36)21-39(4,5)37(47)48)23-25-10-12-27(13-11-25)32-18-15-28(22-44-32)40(41,42)43/h6-20,22H,21,23-24H2,1-5H3,(H,47,48)