pyridin-2-ylmethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: pyridin-2-ylmethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: 2-pyridylmethyl 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 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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 2-pyridylmethyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C18H17NO5/c20-15(13-4-6-16-17(11-13)23-10-9-22-16)5-7-18(21)24-12-14-3-1-2-8-19-14/h1-4,6,8,11H,5,7,9-10,12H2