[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C21H24N4O4/c1-3-4-11-25-18-8-6-5-7-16(18)24-17(21(25)28)9-10-20(27)29-13-19(26)15(12-22)14(2)23/h5-8,15,23H,3-4,9-11,13H2,1-2H3/t15-/m1/s1