2-[(7-chloranylquinolin-2-yl)methyl]-2-(oxan-2-yloxy)propanedioic acid

Systemtic Name: 2-[(7-chloranylquinolin-2-yl)methyl]-2-(oxan-2-yloxy)propanedioic acid Openeye Name: 2-[(7-chloro-2-quinolyl)methyl]-2-tetrahydropyran-2-yloxy-propanedioic acid CAS Name: 2-[(7-chloro-2-quinolinyl)methyl]-2-(2-oxanyloxy)propanedioic acid IUPAC Name: 2-[(7-chloroquinolin-2-yl)methyl]-2-(oxan-2-yloxy)propanedioic acid Traditional Name: 2-[(7-chloro-2-quinolyl)methyl]-2-tetrahydropyran-2-yloxy-malonic acid Formula: C18H18ClNO6 MolecularWeight: 379.79162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CC2=NC3=C(C=CC(=C3)Cl)C=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(CC2=NC3=C(C=CC(=C3)Cl)C=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H18ClNO6/c19-12-6-4-11-5-7-13(20-14(11)9-12)10-18(16(21)22,17(23)24)26-15-3-1-2-8-25-15/h4-7,9,15H,1-3,8,10H2,(H,21,22)(H,23,24)