[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid (2-keto-2-mesidino-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)OCC(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=C(C=C(C=C3C)C)C

InChI

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