[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4/c1-14(2)20(27-22(29)15-8-4-3-5-9-15)23(30)31-13-19(28)16(12-24)21-25-17-10-6-7-11-18(17)26-21/h3-11,14,20,25-26H,13H2,1-2H3,(H,27,29)/t20-/m0/s1