[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-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-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [2-(2-isopropylanilino)-2-keto-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=CC=CC=C3C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-4-5-16-29-23-13-9-8-12-21(23)27-22(26(29)32)14-15-25(31)33-17-24(30)28-20-11-7-6-10-19(20)18(2)3/h6-13,18H,4-5,14-17H2,1-3H3,(H,28,30)