[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-2-11-21-14-6-3-4-7-15(14)22(18(21)25)12-8-17(24)26-13-16(23)20-10-5-9-19/h3-4,6-7H,2,5,8,10-13H2,1H3,(H,20,23)