[(1R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-1-phenyl-propyl] ethanoate

Systemtic Name: [(1R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-1-phenyl-propyl] ethanoate Openeye Name: [(1R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-1-phenyl-propyl] acetate CAS Name: acetic acid [(1R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-1-phenylpropyl] ester IUPAC Name: [(1R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-1-phenylpropyl] acetate Traditional Name: acetic acid [(1R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-1-phenyl-propyl] ester Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O[C@H](C1=CC=CC=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H15N3O3/c1-12(23)25-18(13-7-3-2-4-8-13)17(24)14(11-20)19-21-15-9-5-6-10-16(15)22-19/h2-10,14,18H,1H3,(H,21,22)/t14?,18-/m1/s1