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

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic 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-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H25N3O6 MolecularWeight: 463.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCC(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCC(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C25H25N3O6/c1-27-18-7-5-6-8-19(18)28(2)25(27)17(14-26)21(30)15-34-24(31)12-10-20(29)16-9-11-22(32-3)23(13-16)33-4/h5-9,11,13H,10,12,15H2,1-4H3