(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C23H20ClNO6 MolecularWeight: 441.861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C23H20ClNO6/c1-28-17-4-2-14-10-16(23(24)25-18(14)12-17)13-31-22(27)7-5-19(26)15-3-6-20-21(11-15)30-9-8-29-20/h2-4,6,10-12H,5,7-9,13H2,1H3