2-[[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]methyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]methyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-[[3-[(7-chloro-2-quinolyl)methoxy]phenyl]methyl]-2-hydroxy-propanedioic acid CAS Name: 2-[[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]methyl]-2-hydroxypropanedioic acid IUPAC Name: 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]methyl]-2-hydroxypropanedioic acid Traditional Name: 2-[3-[(7-chloro-2-quinolyl)methoxy]benzyl]-2-hydroxy-malonic acid Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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