[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C21H28N4O5/c1-4-5-12-25-16-9-7-6-8-14(16)23-15(20(25)28)10-11-17(26)30-18(13(2)3)19(27)24-21(22)29/h6-9,13,18H,4-5,10-12H2,1-3H3,(H3,22,24,27,29)