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

Systemtic Name: 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyridin-4-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-(2-pyridylmethoxy)-1-[[4-(4-pyridyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-(2-pyridinylmethoxy)-1-[(4-pyridin-4-ylphenyl)methyl]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyridin-4-ylphenyl)methyl]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-[4-(4-pyridyl)benzyl]-5-(2-pyridylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C35H37N3O3S MolecularWeight: 579.75158

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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=CC=NC=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=CC=NC=C5)CC(C)(C)C(=O)O

InChI

InChI=1S/C35H37N3O3S/c1-34(2,3)42-32-29-20-28(41-23-27-8-6-7-17-37-27)13-14-30(29)38(31(32)21-35(4,5)33(39)40)22-24-9-11-25(12-10-24)26-15-18-36-19-16-26/h6-20H,21-23H2,1-5H3,(H,39,40)