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

Systemtic Name: 3-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylpropanoic acid Openeye Name: 3-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-2-cyanoethyl]thio]propanoic acid IUPAC Name: 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-2-cyanoethyl]sulfanylpropanoic acid Traditional Name: 3-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]thio]propionic acid Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O3S/c23-17-6-4-15-5-7-18(25-20(15)13-17)14-28-19-3-1-2-16(12-19)21(8-10-24)29-11-9-22(26)27/h1-7,12-13,21H,8-9,11,14H2,(H,26,27)