[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(=C1N(C2=CC=CC=C2N1C)C)C#N)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C(=C1N(C2=CC=CC=C2N1C)C)C#N)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H28N4O5/c1-16(2)23(28-24(32)17-10-12-18(34-5)13-11-17)26(33)35-15-22(31)19(14-27)25-29(3)20-8-6-7-9-21(20)30(25)4/h6-13,16,23H,15H2,1-5H3,(H,28,32)/t23-/m0/s1