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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-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] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-16(2)23(31-25(33)17-10-12-18(13-11-17)27(3,4)5)26(34)35-15-22(32)19(14-28)24-29-20-8-6-7-9-21(20)30-24/h6-13,16,23,29-30H,15H2,1-5H3,(H,31,33)