4-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanoic acid Openeye Name: 4-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanoic acid CAS Name: 4-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-2-cyanoethyl]thio]butanoic acid IUPAC Name: 4-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-2-cyanoethyl]sulfanylbutanoic acid Traditional Name: 4-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]thio]butyric acid Formula: C23H21ClN2O3S MolecularWeight: 440.94244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(CC#N)SCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(CC#N)SCCCC(=O)O

InChI

InChI=1S/C23H21ClN2O3S/c24-18-8-6-16-7-9-19(26-21(16)14-18)15-29-20-4-1-3-17(13-20)22(10-11-25)30-12-2-5-23(27)28/h1,3-4,6-9,13-14,22H,2,5,10,12,15H2,(H,27,28)