(E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(3-benzyloxyphenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(3-benzoxyphenyl)-2-cyano-N-homoveratryl-acrylamide Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)/C#N)OC

InChI

InChI=1S/C27H26N2O4/c1-31-25-12-11-20(17-26(25)32-2)13-14-29-27(30)23(18-28)15-22-9-6-10-24(16-22)33-19-21-7-4-3-5-8-21/h3-12,15-17H,13-14,19H2,1-2H3,(H,29,30)/b23-15+