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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzyloxy-3-ethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzoxy-3-ethoxy-phenyl)acrylonitrile Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2/c1-2-29-24-15-19(12-13-23(24)30-17-18-8-4-3-5-9-18)14-20(16-26)25-27-21-10-6-7-11-22(21)28-25/h3-15H,2,17H2,1H3,(H,27,28)/b20-14+