3-(4-butan-2-yloxy-3-iodanyl-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(4-butan-2-yloxy-3-iodanyl-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-iodo-5-methoxy-4-sec-butoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-iodo-5-methoxy-4-sec-butoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H22IN3O2 MolecularWeight: 487.33345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1I)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1I)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OC

InChI

InChI=1S/C22H22IN3O2/c1-5-14(3)28-21-17(23)10-15(11-20(21)27-4)9-16(12-24)22-25-18-7-6-13(2)8-19(18)26-22/h6-11,14H,5H2,1-4H3,(H,25,26)