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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile chloride Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile chloride CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile chloride IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile chloride Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile chloride Formula: C21H21ClN3O2- MolecularWeight: 382.86334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OC(C)C)OC)C#N.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)OC(C)C)OC)/C#N.[Cl-]

InChI

InChI=1S/C21H21N3O2.ClH/c1-13(2)26-19-8-6-15(11-20(19)25-4)10-16(12-22)21-23-17-7-5-14(3)9-18(17)24-21;/h5-11,13H,1-4H3,(H,23,24);1H/p-1/b16-10+;