(E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-2-propoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-2-propoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=C(C#N)C2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C22H23N3O2/c1-4-13-27-21-16(9-8-12-20(21)26-5-2)14-17(15-23)22-24-18-10-6-7-11-19(18)25(22)3/h6-12,14H,4-5,13H2,1-3H3/b17-14+