[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(2-ethoxyphenoxy)butanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C25H27N3O5/c1-4-31-22-12-7-8-13-23(22)32-15-9-14-24(30)33-17-21(29)18(16-26)25-27(2)19-10-5-6-11-20(19)28(25)3/h5-8,10-13H,4,9,14-15,17H2,1-3H3