3-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]-2,2-dimethyl-propionic acid Formula: C33H36ClNO4S MolecularWeight: 578.16124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC(CCC1=CC=CC=C1C(C)(C)O)C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C(=O)O

Isomeric SMILES

CC(C)(CSC(CCC1=CC=CC=C1C(C)(C)O)C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C(=O)O

InChI

InChI=1S/C33H36ClNO4S/c1-32(2,31(36)37)21-40-30(17-14-22-8-5-6-11-28(22)33(3,4)38)24-9-7-10-27(18-24)39-20-26-16-13-23-12-15-25(34)19-29(23)35-26/h5-13,15-16,18-19,30,38H,14,17,20-21H2,1-4H3,(H,36,37)