2-[phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[phenyl-bis[4-(2-quinolylmethoxy)phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[phenyl-bis[4-(2-quinolinylmethoxy)phenyl]methyl]thio]acetic acid IUPAC Name: 2-[phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[phenyl-bis[4-(2-quinolylmethoxy)phenyl]methyl]thio]acetic acid Formula: C41H32N2O4S MolecularWeight: 648.76878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)(C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)(C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)SCC(=O)O

InChI

InChI=1S/C41H32N2O4S/c44-40(45)28-48-41(31-10-2-1-3-11-31,32-16-22-36(23-17-32)46-26-34-20-14-29-8-4-6-12-38(29)42-34)33-18-24-37(25-19-33)47-27-35-21-15-30-9-5-7-13-39(30)43-35/h1-25H,26-28H2,(H,44,45)