(2E)-2-[(4-methoxy-3-phenylmethoxy-phenyl)methylidene]-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(4-methoxy-3-phenylmethoxy-phenyl)methylidene]-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(3-benzyloxy-4-methoxy-phenyl)methylene]-4-methyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-4-methyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-4-methyl-3-oxopentanenitrile Traditional Name: (E)-3-(3-benzoxy-4-methoxy-phenyl)-2-isobutyryl-acrylonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=CC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)C(=O)/C(=C/C1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H21NO3/c1-15(2)21(23)18(13-22)11-17-9-10-19(24-3)20(12-17)25-14-16-7-5-4-6-8-16/h4-12,15H,14H2,1-3H3/b18-11+