4-[3-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: 4-[3-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 4-[3-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 4-[3-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C25H21N4O2- MolecularWeight: 409.45984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)[O-])C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)[O-])C)/C#N

InChI

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