[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (3R)-3-phenylbutanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (3R)-3-phenylbutanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1C)C#N)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)/C(=C/1\NC2=CC=CC=C2N1C)/C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-15(16-8-4-3-5-9-16)12-21(27)28-14-20(26)17(13-23)22-24-18-10-6-7-11-19(18)25(22)2/h3-11,15,24H,12,14H2,1-2H3/b22-17+/t15-/m1/s1