(E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-pentoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-amoxy-3-methoxy-phenyl)-2-(1H-benzimidazol-2-yl)acrylonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H23N3O2/c1-3-4-7-12-27-20-11-10-16(14-21(20)26-2)13-17(15-23)22-24-18-8-5-6-9-19(18)25-22/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,24,25)/b17-13+