(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)OC

InChI

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