2-[6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-5-propan-2-yloxycarbonyl-1,6-dihydropyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-5-propan-2-yloxycarbonyl-1,6-dihydropyrimidin-3-yl]ethanoic acid Openeye Name: 2-[6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-isopropoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]acetic acid CAS Name: 2-[6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-5-[oxo(propan-2-yloxy)methyl]-1,6-dihydropyrimidin-3-yl]acetic acid IUPAC Name: 2-[6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-5-propan-2-yloxycarbonyl-1,6-dihydropyrimidin-3-yl]acetic acid Traditional Name: 2-[6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-isopropoxycarbonyl-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]acetic acid Formula: C18H21BrN2O7 MolecularWeight: 457.27254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC(=O)O)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1CC(=O)O)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC(C)C

InChI

InChI=1S/C18H21BrN2O7/c1-8(2)28-17(25)14-9(3)21(7-13(22)23)18(26)20-15(14)10-5-11(19)16(24)12(6-10)27-4/h5-6,8,15,24H,7H2,1-4H3,(H,20,26)(H,22,23)