2-[[4-[(7-chloranylquinolin-2-yl)methoxy]phenyl]methyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[[4-[(7-chloranylquinolin-2-yl)methoxy]phenyl]methyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-[[4-[(7-chloro-2-quinolyl)methoxy]phenyl]methyl]-2-hydroxy-propanedioic acid CAS Name: 2-[[4-[(7-chloro-2-quinolinyl)methoxy]phenyl]methyl]-2-hydroxypropanedioic acid IUPAC Name: 2-[[4-[(7-chloroquinolin-2-yl)methoxy]phenyl]methyl]-2-hydroxypropanedioic acid Traditional Name: 2-[4-[(7-chloro-2-quinolyl)methoxy]benzyl]-2-hydroxy-malonic acid Formula: C20H16ClNO6 MolecularWeight: 401.79714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=N2)COC3=CC=C(C=C3)CC(C(=O)O)(C(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=N2)COC3=CC=C(C=C3)CC(C(=O)O)(C(=O)O)O)Cl

InChI

InChI=1S/C20H16ClNO6/c21-14-5-3-13-4-6-15(22-17(13)9-14)11-28-16-7-1-12(2-8-16)10-20(27,18(23)24)19(25)26/h1-9,27H,10-11H2,(H,23,24)(H,25,26)