(1-cyanoindolizin-2-yl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC2=CN3C=CC=CC3=C2C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC2=CN3C=CC=CC3=C2C#N)OC)OC

InChI

InChI=1S/C22H20N2O5/c1-26-19-11-21(28-3)20(27-2)10-15(19)7-8-22(25)29-14-16-13-24-9-5-4-6-18(24)17(16)12-23/h4-11,13H,14H2,1-3H3/b8-7+