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

Systemtic Name: 3-[4-(4-bromophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid Openeye Name: 3-[4-(4-bromophenyl)-1-[4-(2-quinolylmethoxy)phenyl]butyl]sulfanylpropanoic acid CAS Name: 3-[[4-(4-bromophenyl)-1-[4-(2-quinolinylmethoxy)phenyl]butyl]thio]propanoic acid IUPAC Name: 3-[4-(4-bromophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(4-bromophenyl)-1-[4-(2-quinolylmethoxy)phenyl]butyl]thio]propionic acid Formula: C29H28BrNO3S MolecularWeight: 550.50652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(CCCC4=CC=C(C=C4)Br)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(CCCC4=CC=C(C=C4)Br)SCCC(=O)O

InChI

InChI=1S/C29H28BrNO3S/c30-24-13-8-21(9-14-24)4-3-7-28(35-19-18-29(32)33)23-11-16-26(17-12-23)34-20-25-15-10-22-5-1-2-6-27(22)31-25/h1-2,5-6,8-17,28H,3-4,7,18-20H2,(H,32,33)