(1-cyanoindolizin-2-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=CN3C=CC=CC3=C2C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CN3C=CC=CC3=C2C#N)OCC

InChI

InChI=1S/C24H24N2O4/c1-3-13-29-22-10-8-18(14-23(22)28-4-2)9-11-24(27)30-17-19-16-26-12-6-5-7-21(26)20(19)15-25/h5-12,14,16H,3-4,13,17H2,1-2H3/b11-9+