[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H22N4O4 MolecularWeight: 370.40238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H22N4O4/c1-3-9-22-15-6-4-5-7-16(15)23(19(22)26)10-8-18(25)27-12-17(24)14(11-20)13(2)21/h4-7,14,21H,3,8-10,12H2,1-2H3/t14-/m1/s1