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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-butoxy-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-butoxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-butoxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-butoxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-butoxy-4-methoxy-phenyl)acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC

InChI

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