(E)-3-[3-bromanyl-5-methoxy-4-(2-methylpropoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-(2-methylpropoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-isobutoxy-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-isobutoxy-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C(=C3)Br)OCC(C)C)OC)/C#N

InChI

InChI=1S/C22H22BrN3O2/c1-13(2)12-28-21-17(23)9-15(10-20(21)27-4)8-16(11-24)22-25-18-6-5-14(3)7-19(18)26-22/h5-10,13H,12H2,1-4H3,(H,25,26)/b16-8+