[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OC(C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)O[C@H](C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

InChI

InChI=1S/C22H21N3O3/c1-13-8-9-16(10-14(13)2)11-20(26)28-15(3)21(27)17(12-23)22-24-18-6-4-5-7-19(18)25-22/h4-10,15,24-25H,11H2,1-3H3/t15-/m1/s1