methyl 4-[4-(5,5-dimethyl-7,8-dihydro-6H-quinoxalin-2-yl)-4-oxidanylidene-butanoyl]benzoate

Systemtic Name: methyl 4-[4-(5,5-dimethyl-7,8-dihydro-6H-quinoxalin-2-yl)-4-oxidanylidene-butanoyl]benzoate Openeye Name: methyl 4-[4-(5,5-dimethyl-7,8-dihydro-6H-quinoxalin-2-yl)-4-oxo-butanoyl]benzoate CAS Name: 4-[4-(5,5-dimethyl-7,8-dihydro-6H-quinoxalin-2-yl)-1,4-dioxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5,5-dimethyl-7,8-dihydro-6H-quinoxalin-2-yl)-4-oxobutanoyl]benzoate Traditional Name: 4-[4-(5,5-dimethyl-7,8-dihydro-6H-quinoxalin-2-yl)-4-keto-butanoyl]benzoic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2=NC(=CN=C21)C(=O)CCC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CCCC2=NC(=CN=C21)C(=O)CCC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H24N2O4/c1-22(2)12-4-5-16-20(22)23-13-17(24-16)19(26)11-10-18(25)14-6-8-15(9-7-14)21(27)28-3/h6-9,13H,4-5,10-12H2,1-3H3