[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H31N3O4/c1-5-6-15-29-23-10-8-7-9-20(23)27-21(26(29)32)13-14-24(30)33-19(4)25(31)28-22-16-17(2)11-12-18(22)3/h7-12,16,19H,5-6,13-15H2,1-4H3,(H,28,31)