[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OC

InChI

InChI=1S/C22H21N3O5/c1-28-15-9-14(10-16(11-15)29-2)7-8-21(27)30-13-20(26)17(12-23)22-24-18-5-3-4-6-19(18)25-22/h3-6,9-11,24-25H,7-8,13H2,1-2H3