2-[[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-[2-(2-oxidanylpropyl)phenyl]propyl]sulfanylmethyl]butanoic acid

Systemtic Name: 2-[[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-[2-(2-oxidanylpropyl)phenyl]propyl]sulfanylmethyl]butanoic acid Openeye Name: 2-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-[2-(2-hydroxypropyl)phenyl]propyl]sulfanylmethyl]butanoic acid CAS Name: 2-[[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-3-[2-(2-hydroxypropyl)phenyl]propyl]thio]methyl]butanoic acid IUPAC Name: 2-[[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(2-hydroxypropyl)phenyl]propyl]sulfanylmethyl]butanoic acid Traditional Name: 2-[[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-[2-(2-hydroxypropyl)phenyl]propyl]thio]methyl]butyric acid Formula: C33H36ClNO4S MolecularWeight: 578.16124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(CCC1=CC=CC=C1CC(C)O)C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C(=O)O

Isomeric SMILES

CCC(CSC(CCC1=CC=CC=C1CC(C)O)C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C(=O)O

InChI

InChI=1S/C33H36ClNO4S/c1-3-23(33(37)38)21-40-32(16-13-24-7-4-5-8-26(24)17-22(2)36)27-9-6-10-30(18-27)39-20-29-15-12-25-11-14-28(34)19-31(25)35-29/h4-12,14-15,18-19,22-23,32,36H,3,13,16-17,20-21H2,1-2H3,(H,37,38)