(E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-2-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-2-propoxy-phenyl)acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C(\C#N)/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H21N3O2/c1-3-12-26-20-15(8-7-11-19(20)25-4-2)13-16(14-22)21-23-17-9-5-6-10-18(17)24-21/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)/b16-13+