(1-cyanoindolizin-2-yl)methyl 2,4,5-trimethoxybenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2,4,5-trimethoxybenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-24-17-9-19(26-3)18(25-2)8-14(17)20(23)27-12-13-11-22-7-5-4-6-16(22)15(13)10-21/h4-9,11H,12H2,1-3H3