[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4/c1-14(2)21(28-23(30)16-10-8-15(3)9-11-16)24(31)32-13-20(29)17(12-25)22-26-18-6-4-5-7-19(18)27-22/h4-11,14,21,26-27H,13H2,1-3H3,(H,28,30)