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

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-ethoxyphenoxy)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-(4-ethoxyphenoxy)acetate CAS Name: 2-(4-ethoxyphenoxy)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-(4-ethoxyphenoxy)acetate Traditional Name: 2-(4-ethoxyphenoxy)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C22H21N3O5/c1-3-28-15-8-10-16(11-9-15)29-14-21(27)30-13-20(26)17(12-23)22-24-18-6-4-5-7-19(18)25(22)2/h4-11,24H,3,13-14H2,1-2H3/b22-17+