(6-chloranylpyridin-3-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=CN=C(C=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=CN=C(C=C3)Cl)OC1

InChI

InChI=1S/C19H18ClNO5/c20-18-6-2-13(11-21-18)12-26-19(23)7-4-15(22)14-3-5-16-17(10-14)25-9-1-8-24-16/h2-3,5-6,10-11H,1,4,7-9,12H2