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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile hydrochloride Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile hydrochloride CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile hydrochloride IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile hydrochloride Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile hydrochloride Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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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/b16-10+;