[4-[(3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-propyl]phenyl] ethanoate

Systemtic Name: [4-[(3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-propyl]phenyl] ethanoate Openeye Name: [4-[(3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxo-propyl]phenyl] acetate CAS Name: acetic acid [4-[(3R)-3-cyano-3-(1-methyl-2-benzimidazolyl)-2-oxopropyl]phenyl] ester IUPAC Name: [4-[(3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxopropyl]phenyl] acetate Traditional Name: acetic acid [4-[(3R)-3-cyano-2-keto-3-(1-methylbenzimidazol-2-yl)propyl]phenyl] ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(=O)C(C#N)C2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C20H17N3O3/c1-13(24)26-15-9-7-14(8-10-15)11-19(25)16(12-21)20-22-17-5-3-4-6-18(17)23(20)2/h3-10,16H,11H2,1-2H3/t16-/m0/s1