[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-4-6-14-24-18-10-8-7-9-16(18)23-17(21(24)27)11-12-19(25)28-15(3)20(26)22-13-5-2/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,26)/t15-/m0/s1