(1-cyanoindolizin-2-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C26H18N2O5 MolecularWeight: 438.43152

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C26H18N2O5/c27-14-21-18(15-28-10-4-3-7-22(21)28)16-33-26(30)20-6-2-1-5-19(20)25(29)17-8-9-23-24(13-17)32-12-11-31-23/h1-10,13,15H,11-12,16H2