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

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)ethanoate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)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-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-13-7-9-15(10-8-13)11-19(25)27-14(2)20(26)16(12-22)21-23-17-5-3-4-6-18(17)24-21/h3-10,14,23-24H,11H2,1-2H3/t14-/m1/s1