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

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-pyridin-3-ylphenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[[4-(3-pyridyl)phenyl]methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[[4-(3-pyridinyl)phenyl]methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-pyridin-3-ylphenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-[4-(3-pyridyl)benzyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C39H39N3O3S MolecularWeight: 629.81026

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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=CC=C6)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=CC=C6)CC(C)(C)C(=O)O

InChI

InChI=1S/C39H39N3O3S/c1-38(2,3)46-36-32-21-31(45-25-30-17-16-28-9-6-7-11-33(28)41-30)18-19-34(32)42(35(36)22-39(4,5)37(43)44)24-26-12-14-27(15-13-26)29-10-8-20-40-23-29/h6-21,23H,22,24-25H2,1-5H3,(H,43,44)