(E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile hydrochloride

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile hydrochloride Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enenitrile hydrochloride CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile hydrochloride IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile hydrochloride Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzoxy-3-methoxy-phenyl)acrylonitrile hydrochloride Formula: C24H20ClN3O2 MolecularWeight: 417.8875

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=CC=C4.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C24H19N3O2.ClH/c1-28-23-14-18(11-12-22(23)29-16-17-7-3-2-4-8-17)13-19(15-25)24-26-20-9-5-6-10-21(20)27-24;/h2-14H,16H2,1H3,(H,26,27);1H/b19-13+;