[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,4,6-trimethylphenoxy)ethanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)acetic 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] 2-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N)C

InChI

InChI=1S/C23H23N3O4/c1-14-9-15(2)22(16(3)10-14)30-13-21(28)29-12-20(27)17(11-24)23-25-18-7-5-6-8-19(18)26(23)4/h5-10,25H,12-13H2,1-4H3/b23-17+