[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-methoxy-4-methyl-benzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)OC

InChI

InChI=1S/C22H21N3O4/c1-14-9-10-15(11-20(14)28-4)22(27)29-13-19(26)16(12-23)21-24(2)17-7-5-6-8-18(17)25(21)3/h5-11H,13H2,1-4H3