(1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C22H18N2O5/c23-12-17-16(13-24-8-2-1-3-18(17)24)14-29-22(26)7-5-19(25)15-4-6-20-21(11-15)28-10-9-27-20/h1-4,6,8,11,13H,5,7,9-10,14H2