2-[(7-chloranylquinolin-3-yl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid

Systemtic Name: 2-[(7-chloranylquinolin-3-yl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid Openeye Name: 2-[(7-chloro-3-quinolyl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid CAS Name: 2-[(7-chloro-3-quinolinyl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid IUPAC Name: 2-[(7-chloroquinolin-3-yl)methyl]-2-(1,4-dioxan-2-yloxy)propanedioic acid Traditional Name: 2-[(7-chloro-3-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=CN=C3C=C(C=CC3=C2)Cl)(C(=O)O)C(=O)O

Isomeric SMILES

C1COC(CO1)OC(CC2=CN=C3C=C(C=CC3=C2)Cl)(C(=O)O)C(=O)O

InChI

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