[(1R)-1-cyanoethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [(1R)-1-cyanoethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-3-9-18-13-6-4-5-7-14(13)19(16(18)21)10-8-15(20)22-12(2)11-17/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1