ethyl 6-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-bromo-5-methoxy-4-propoxy-benzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-bromo-5-methoxy-4-propoxybenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-bromo-5-methoxy-4-propoxy-benzoyl)oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23BrN2O7 MolecularWeight: 471.29912

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(CNC(=O)N2)C(=O)OCC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(CNC(=O)N2)C(=O)OCC)OC

InChI

InChI=1S/C19H23BrN2O7/c1-4-6-28-16-13(20)7-11(8-15(16)26-3)17(23)29-10-14-12(18(24)27-5-2)9-21-19(25)22-14/h7-8H,4-6,9-10H2,1-3H3,(H2,21,22,25)