ethyl 6-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25ClN2O7 MolecularWeight: 452.8854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)COC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)OCC

InChI

InChI=1S/C21H25ClN2O7/c1-3-14-18(20(26)28-4-2)15(24-21(27)23-14)11-31-17(25)10-12-8-13(22)19-16(9-12)29-6-5-7-30-19/h8-9,14H,3-7,10-11H2,1-2H3,(H2,23,24,27)