(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-iodanyl-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-iodanyl-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxy-phenyl)acrylonitrile Formula: C22H22IN3O2 MolecularWeight: 487.33345

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C(\C#N)/C2=NC3=C(N2)C=C(C(=C3)C)C)OC

InChI

InChI=1S/C22H22IN3O2/c1-5-6-28-21-17(23)10-15(11-20(21)27-4)9-16(12-24)22-25-18-7-13(2)14(3)8-19(18)26-22/h7-11H,5-6H2,1-4H3,(H,25,26)/b16-9+