(E)-3-(4-methoxy-3-oxidanyl-phenyl)-2-[1-(2-phenylethanoyl)benzimidazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(4-methoxy-3-oxidanyl-phenyl)-2-[1-(2-phenylethanoyl)benzimidazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-hydroxy-4-methoxy-phenyl)-2-[1-(2-phenylacetyl)benzimidazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-[1-(1-oxo-2-phenylethyl)-2-benzimidazolyl]-2-propenenitrile IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-[1-(2-phenylacetyl)benzimidazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(3-hydroxy-4-methoxy-phenyl)-2-[1-(2-phenylacetyl)benzimidazol-2-yl]acrylonitrile Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C(=O)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C(=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H19N3O3/c1-31-23-12-11-18(14-22(23)29)13-19(16-26)25-27-20-9-5-6-10-21(20)28(25)24(30)15-17-7-3-2-4-8-17/h2-14,29H,15H2,1H3/b19-13+