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

Systemtic Name: 3-(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-iodo-4-isopropoxy-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-iodo-4-isopropoxy-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H20IN3O2 MolecularWeight: 473.30687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)I)OC(C)C)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)I)OC(C)C)OC)C#N

InChI

InChI=1S/C21H20IN3O2/c1-12(2)27-20-16(22)9-14(10-19(20)26-4)8-15(11-23)21-24-17-6-5-13(3)7-18(17)25-21/h5-10,12H,1-4H3,(H,24,25)