[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2-butylbenzimidazol-1-yl)ethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2-butylbenzimidazol-1-yl)ethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(2-butylbenzimidazol-1-yl)acetate CAS Name: 2-(2-butyl-1-benzimidazolyl)acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(2-butylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-butylbenzimidazol-1-yl)acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C19H22N4O3/c1-3-4-9-18-22-15-7-5-6-8-16(15)23(18)11-19(25)26-12-17(24)14(10-20)13(2)21/h5-8,14,21H,3-4,9,11-12H2,1-2H3/t14-/m0/s1