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

Systemtic Name: 3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid Openeye Name: 3-[4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]sulfanylpropanoic acid CAS Name: 3-[[4-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl]thio]propanoic acid IUPAC Name: 3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid Traditional Name: 3-[[4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]thio]propionic acid Formula: C29H29NO3S MolecularWeight: 471.61046

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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)SCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO3S/c31-29(32)19-20-34-28(12-6-9-22-7-2-1-3-8-22)24-14-17-26(18-15-24)33-21-25-16-13-23-10-4-5-11-27(23)30-25/h1-5,7-8,10-11,13-18,28H,6,9,12,19-21H2,(H,31,32)