[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-methylpentanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-methylpentanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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-methylpentanoate Traditional Name: 4-methylvaleric acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-12(2)8-9-17(23)24-11-16(22)13(10-19)18-20-14-6-4-5-7-15(14)21(18)3/h4-7,12,20H,8-9,11H2,1-3H3/b18-13+