4-[1-(2-cyanoethyl)benzimidazol-2-yl]butan-2-yl ethanoate

Systemtic Name: 4-[1-(2-cyanoethyl)benzimidazol-2-yl]butan-2-yl ethanoate Openeye Name: [3-[1-(2-cyanoethyl)benzimidazol-2-yl]-1-methyl-propyl] acetate CAS Name: acetic acid 4-[1-(2-cyanoethyl)-2-benzimidazolyl]butan-2-yl ester IUPAC Name: 4-[1-(2-cyanoethyl)benzimidazol-2-yl]butan-2-yl acetate Traditional Name: acetic acid [3-[1-(2-cyanoethyl)benzimidazol-2-yl]-1-methyl-propyl] ester Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=NC2=CC=CC=C2N1CCC#N)OC(=O)C

Isomeric SMILES

CC(CCC1=NC2=CC=CC=C2N1CCC#N)OC(=O)C

InChI

InChI=1S/C16H19N3O2/c1-12(21-13(2)20)8-9-16-18-14-6-3-4-7-15(14)19(16)11-5-10-17/h3-4,6-7,12H,5,8-9,11H2,1-2H3