2-[1-[3-iodanyl-4-(quinolin-2-ylmethoxy)phenyl]-4-phenyl-butyl]sulfanylethanoic acid

Systemtic Name: 2-[1-[3-iodanyl-4-(quinolin-2-ylmethoxy)phenyl]-4-phenyl-butyl]sulfanylethanoic acid Openeye Name: 2-[1-[3-iodo-4-(2-quinolylmethoxy)phenyl]-4-phenyl-butyl]sulfanylacetic acid CAS Name: 2-[[1-[3-iodo-4-(2-quinolinylmethoxy)phenyl]-4-phenylbutyl]thio]acetic acid IUPAC Name: 2-[1-[3-iodo-4-(quinolin-2-ylmethoxy)phenyl]-4-phenylbutyl]sulfanylacetic acid Traditional Name: 2-[[1-[3-iodo-4-(2-quinolylmethoxy)phenyl]-4-phenyl-butyl]thio]acetic acid Formula: C28H26INO3S MolecularWeight: 583.48041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)I)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)I)SCC(=O)O

InChI

InChI=1S/C28H26INO3S/c29-24-17-22(27(34-19-28(31)32)12-6-9-20-7-2-1-3-8-20)14-16-26(24)33-18-23-15-13-21-10-4-5-11-25(21)30-23/h1-5,7-8,10-11,13-17,27H,6,9,12,18-19H2,(H,31,32)