(3-methylquinoxalin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (3-methylquinoxalin-2-yl)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 (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-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 (3-methylquinoxalin-2-yl)methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H20N2O5/c1-14-18(24-17-5-3-2-4-16(17)23-14)13-29-22(26)9-7-19(25)15-6-8-20-21(12-15)28-11-10-27-20/h2-6,8,12H,7,9-11,13H2,1H3