3-[4-(4-methylsulfanylphenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid

Systemtic Name: 3-[4-(4-methylsulfanylphenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid Openeye Name: 3-[4-(4-methylsulfanylphenyl)-1-[4-(2-quinolylmethoxy)phenyl]butoxy]propanoic acid CAS Name: 3-[4-[4-(methylthio)phenyl]-1-[4-(2-quinolinylmethoxy)phenyl]butoxy]propanoic acid IUPAC Name: 3-[4-(4-methylsulfanylphenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid Traditional Name: 3-[4-[4-(methylthio)phenyl]-1-[4-(2-quinolylmethoxy)phenyl]butoxy]propionic acid Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)OCCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)OCCC(=O)O

InChI

InChI=1S/C30H31NO4S/c1-36-27-17-9-22(10-18-27)5-4-8-29(34-20-19-30(32)33)24-12-15-26(16-13-24)35-21-25-14-11-23-6-2-3-7-28(23)31-25/h2-3,6-7,9-18,29H,4-5,8,19-21H2,1H3,(H,32,33)