ethyl 3-(1H-benzimidazol-2-yl)-3-cyano-4-phenyl-butanoate

Systemtic Name: ethyl 3-(1H-benzimidazol-2-yl)-3-cyano-4-phenyl-butanoate Openeye Name: ethyl 3-(1H-benzimidazol-2-yl)-3-cyano-4-phenyl-butanoate CAS Name: 3-(1H-benzimidazol-2-yl)-3-cyano-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 3-(1H-benzimidazol-2-yl)-3-cyano-4-phenylbutanoate Traditional Name: 3-(1H-benzimidazol-2-yl)-3-cyano-4-phenyl-butyric acid ethyl ester Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=CC=C1)(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CC(CC1=CC=CC=C1)(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H19N3O2/c1-2-25-18(24)13-20(14-21,12-15-8-4-3-5-9-15)19-22-16-10-6-7-11-17(16)23-19/h3-11H,2,12-13H2,1H3,(H,22,23)