(E)-3-(3-methoxy-4-phenethyloxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-4-phenethyloxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-methoxy-4-phenethyloxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-methoxy-4-phenethyloxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-methoxy-4-phenethyloxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-methoxy-4-phenethyloxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C=C3)OCCC4=CC=CC=C4)OC)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C=C3)OCCC4=CC=CC=C4)OC)/C#N

InChI

InChI=1S/C26H23N3O2/c1-29-23-11-7-6-10-22(23)28-26(29)21(18-27)16-20-12-13-24(25(17-20)30-2)31-15-14-19-8-4-3-5-9-19/h3-13,16-17H,14-15H2,1-2H3/b21-16+