2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-methyl-butanoic acid

Systemtic Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-methyl-butanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2-methyl-butanoic acid CAS Name: 2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2-methylbutanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-methylbutanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]-2-methyl-butyric acid Formula: C34H35ClN2O3S MolecularWeight: 587.1713

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)C(=O)O

Isomeric SMILES

CCC(C)(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)C(=O)O

InChI

InChI=1S/C34H35ClN2O3S/c1-6-34(5,32(38)39)31-30(41-33(2,3)4)27-19-26(40-21-25-16-13-23-9-7-8-10-28(23)36-25)17-18-29(27)37(31)20-22-11-14-24(35)15-12-22/h7-19H,6,20-21H2,1-5H3,(H,38,39)