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

Systemtic Name: 3-(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H22IN3O2 MolecularWeight: 487.33345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I)OC(C)C

InChI

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