3-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(4-benzoxy-3-bromo-5-ethoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C26H22BrN3O2 MolecularWeight: 488.37578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22BrN3O2/c1-3-31-24-14-19(13-21(27)25(24)32-16-18-7-5-4-6-8-18)12-20(15-28)26-29-22-10-9-17(2)11-23(22)30-26/h4-14H,3,16H2,1-2H3,(H,29,30)