[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [(1R)-2-(methoxycarbonylamino)-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 [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)O[C@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C20H25N3O6/c1-4-5-12-23-16-9-7-6-8-14(16)21-15(19(23)26)10-11-17(24)29-13(2)18(25)22-20(27)28-3/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,25,27)/t13-/m1/s1