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

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [(1R)-2-(isobutylamino)-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-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-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-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-5-6-13-25-19-10-8-7-9-17(19)24-18(22(25)28)11-12-20(26)29-16(4)21(27)23-14-15(2)3/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,23,27)/t16-/m1/s1