(3-methylquinoxalin-2-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid (3-methylquinoxalin-2-yl)methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H22N2O5/c1-15-19(25-18-6-3-2-5-17(18)24-15)14-30-23(27)10-8-20(26)16-7-9-21-22(13-16)29-12-4-11-28-21/h2-3,5-7,9,13H,4,8,10-12,14H2,1H3