(E)-3-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3,5-dimethoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3,5-dimethoxy-phenyl)-2-o-toluoyl-acrylonitrile Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)/C#N

InChI

InChI=1S/C26H23NO4/c1-18-9-7-8-12-22(18)25(28)21(16-27)13-20-14-23(29-2)26(24(15-20)30-3)31-17-19-10-5-4-6-11-19/h4-15H,17H2,1-3H3/b21-13+