(1-cyanoindolizin-2-yl)methyl 3,4,5-triethoxybenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3,4,5-triethoxybenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C23H24N2O5/c1-4-27-20-11-16(12-21(28-5-2)22(20)29-6-3)23(26)30-15-17-14-25-10-8-7-9-19(25)18(17)13-24/h7-12,14H,4-6,15H2,1-3H3