(E)-3-(1,2-dimethylbenzimidazol-5-yl)-3-(3-ethoxy-5-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(1,2-dimethylbenzimidazol-5-yl)-3-(3-ethoxy-5-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(1,2-dimethylbenzimidazol-5-yl)-3-(3-ethoxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-3-(1,2-dimethyl-5-benzimidazolyl)-3-(3-ethoxy-5-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-3-(1,2-dimethylbenzimidazol-5-yl)-3-(3-ethoxy-5-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(1,2-dimethylbenzimidazol-5-yl)-3-(3-ethoxy-5-methoxy-phenyl)acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC)C(=CC#N)C2=CC3=C(C=C2)N(C(=N3)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC)/C(=C/C#N)/C2=CC3=C(C=C2)N(C(=N3)C)C

InChI

InChI=1S/C21H21N3O2/c1-5-26-18-11-16(10-17(13-18)25-4)19(8-9-22)15-6-7-21-20(12-15)23-14(2)24(21)3/h6-8,10-13H,5H2,1-4H3/b19-8+