1,3-benzodioxol-5-ylmethyl (4R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (4R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl (4R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid piperonyl ester Formula: C21H19BrN2O7 MolecularWeight: 491.28876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19BrN2O7/c1-10-17(20(26)29-8-11-3-4-14-15(5-11)31-9-30-14)18(24-21(27)23-10)12-6-13(22)19(25)16(7-12)28-2/h3-7,18,25H,8-9H2,1-2H3,(H2,23,24,27)/t18-/m1/s1