2-[1,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexan-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[1,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexan-3-yl]sulfanylethanoic acid Openeye Name: 2-[1-phenethyl-4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]sulfanylacetic acid CAS Name: 2-[[1,6-diphenyl-3-[4-(2-quinolinylmethoxy)phenyl]hexan-3-yl]thio]acetic acid IUPAC Name: 2-[1,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexan-3-yl]sulfanylacetic acid Traditional Name: 2-[[1-phenethyl-4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]thio]acetic acid Formula: C36H35NO3S MolecularWeight: 561.733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CCC2=CC=CC=C2)(C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CCC2=CC=CC=C2)(C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)SCC(=O)O

InChI

InChI=1S/C36H35NO3S/c38-35(39)27-41-36(25-23-29-12-5-2-6-13-29,24-9-14-28-10-3-1-4-11-28)31-18-21-33(22-19-31)40-26-32-20-17-30-15-7-8-16-34(30)37-32/h1-8,10-13,15-22H,9,14,23-27H2,(H,38,39)