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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)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-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C22H21N3O4/c1-14-7-8-15(2)20(11-14)28-10-9-21(27)29-13-19(26)16(12-23)22-24-17-5-3-4-6-18(17)25-22/h3-8,11,24-25H,9-10,13H2,1-2H3