2-[(7-chloranylquinolin-2-yl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid

Systemtic Name: 2-[(7-chloranylquinolin-2-yl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid Openeye Name: 2-[(7-chloro-2-quinolyl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid CAS Name: 2-[(7-chloro-2-quinolinyl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid IUPAC Name: 2-[(7-chloroquinolin-2-yl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid Traditional Name: 2-[(7-chloro-2-quinolyl)methyl]-2-(1,4-dioxan-2-yloxy)malonic acid Formula: C17H16ClNO7 MolecularWeight: 381.76444

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)OC(CC2=NC3=C(C=CC(=C3)Cl)C=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1COC(CO1)OC(CC2=NC3=C(C=CC(=C3)Cl)C=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C17H16ClNO7/c18-11-3-1-10-2-4-12(19-13(10)7-11)8-17(15(20)21,16(22)23)26-14-9-24-5-6-25-14/h1-4,7,14H,5-6,8-9H2,(H,20,21)(H,22,23)