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3-[2-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]pyrrol-1-yl]benzoic acid

3-[2-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]pyrrol-1-yl]benzoic acid

Systemtic Name:3-[2-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]pyrrol-1-yl]benzoic acid
Openeye Name:3-[2-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]pyrrol-1-yl]benzoic acid
CAS Name:3-[2-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-1-pyrrolyl]benzoic acid
IUPAC Name:3-[2-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]pyrrol-1-yl]benzoic acid
Traditional Name:3-[2-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]pyrrol-1-yl]benzoic acid
Formula: C22H16N4O3
MolecularWeight: 384.38744
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C#N


Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C#N


InChI

InChI=1S/C22H16N4O3/c1-29-18-7-8-19-20(12-18)25-21(24-19)15(13-23)11-17-6-3-9-26(17)16-5-2-4-14(10-16)22(27)28/h2-12H,1H3,(H,24,25)(H,27,28)/b15-11+


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