[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2-methoxy-5-methyl-phenyl)ethanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2-methoxy-5-methyl-phenyl)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-(2-methoxy-5-methyl-phenyl)acetate CAS Name: 2-(2-methoxy-5-methylphenyl)acetic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 2-(2-methoxy-5-methylphenyl)acetate Traditional Name: 2-(2-methoxy-5-methyl-phenyl)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C22H21N3O4/c1-14-8-9-20(28-3)15(10-14)11-21(27)29-13-19(26)16(12-23)22-24-17-6-4-5-7-18(17)25(22)2/h4-10,24H,11,13H2,1-3H3/b22-16+