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

Systemtic Name: 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyrimidin-5-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-(2-pyridylmethoxy)-1-[(4-pyrimidin-5-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-(2-pyridinylmethoxy)-1-[[4-(5-pyrimidinyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyrimidin-5-ylphenyl)methyl]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-(2-pyridylmethoxy)-1-[4-(5-pyrimidyl)benzyl]indol-2-yl]-2,2-dimethyl-propionic acid Formula: C34H36N4O3S MolecularWeight: 580.73964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=N3)CC4=CC=C(C=C4)C5=CN=CN=C5)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=N3)CC4=CC=C(C=C4)C5=CN=CN=C5)CC(C)(C)C(=O)O

InChI

InChI=1S/C34H36N4O3S/c1-33(2,3)42-31-28-16-27(41-21-26-8-6-7-15-37-26)13-14-29(28)38(30(31)17-34(4,5)32(39)40)20-23-9-11-24(12-10-23)25-18-35-22-36-19-25/h6-16,18-19,22H,17,20-21H2,1-5H3,(H,39,40)