[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)/C(=C/1\NC2=CC=CC=C2N1C)/C#N

InChI

InChI=1S/C21H26N4O5/c1-21(2,3)30-20(28)23-11-7-10-18(27)29-13-17(26)14(12-22)19-24-15-8-5-6-9-16(15)25(19)4/h5-6,8-9,24H,7,10-11,13H2,1-4H3,(H,23,28)/b19-14+