2-[[1-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]butanoic acid

Systemtic Name: 2-[[1-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]butanoic acid Openeye Name: 2-[[1-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]butanoic acid CAS Name: 2-[[[1-[3-[2-(7-bromo-2-quinolinyl)ethynyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]butanoic acid IUPAC Name: 2-[[1-[3-[2-(7-bromoquinolin-2-yl)ethynyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]butanoic acid Traditional Name: 2-[[[1-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]butyric acid Formula: C34H34BrNO3S MolecularWeight: 616.60766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(CCC1=CC=CC=C1C(C)(C)O)C2=CC=CC(=C2)C#CC3=NC4=C(C=CC(=C4)Br)C=C3)C(=O)O

Isomeric SMILES

CCC(CSC(CCC1=CC=CC=C1C(C)(C)O)C2=CC=CC(=C2)C#CC3=NC4=C(C=CC(=C4)Br)C=C3)C(=O)O

InChI

InChI=1S/C34H34BrNO3S/c1-4-24(33(37)38)22-40-32(19-15-25-9-5-6-11-30(25)34(2,3)39)27-10-7-8-23(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-11,13-14,16,18,20-21,24,32,39H,4,15,19,22H2,1-3H3,(H,37,38)