(E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-propan-2-yloxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-propan-2-yloxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-isopropoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-isopropoxy-phenyl)acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC(C)C

InChI

InChI=1S/C21H21N3O2/c1-4-25-20-12-15(9-10-19(20)26-14(2)3)11-16(13-22)21-23-17-7-5-6-8-18(17)24-21/h5-12,14H,4H2,1-3H3,(H,23,24)/b16-11+