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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-(o-tolylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-(2-methylbenzyl)oxy-phenyl]acrylonitrile Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)OC

InChI

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