(1-cyanoindolizin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-25-17-9-15(10-18(11-17)26-2)6-7-21(24)27-14-16-13-23-8-4-3-5-20(23)19(16)12-22/h3-5,8-11,13H,6-7,14H2,1-2H3