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

Systemtic Name: 2-[3-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]propyl]sulfanylethanoic acid Openeye Name: 2-[3-phenyl-1-[4-(2-quinolylmethoxy)phenyl]propyl]sulfanylacetic acid CAS Name: 2-[[3-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]propyl]thio]acetic acid IUPAC Name: 2-[3-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]propyl]sulfanylacetic acid Traditional Name: 2-[[3-phenyl-1-[4-(2-quinolylmethoxy)phenyl]propyl]thio]acetic acid Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO3S/c29-27(30)19-32-26(17-10-20-6-2-1-3-7-20)22-12-15-24(16-13-22)31-18-23-14-11-21-8-4-5-9-25(21)28-23/h1-9,11-16,26H,10,17-19H2,(H,29,30)