ethyl 4-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C25H22N4O2/c1-4-31-25(30)18-9-11-21(12-10-18)29-16(2)13-19(17(29)3)14-20(15-26)24-27-22-7-5-6-8-23(22)28-24/h5-14H,4H2,1-3H3,(H,27,28)/b20-14+