6-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid

Systemtic Name: 6-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[6-(4-bromophenyl)-5-carbethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCCCC(=O)O)C

InChI

InChI=1S/C20H25BrN2O5/c1-3-28-19(26)17-13(2)23(12-6-4-5-7-16(24)25)20(27)22-18(17)14-8-10-15(21)11-9-14/h8-11,18H,3-7,12H2,1-2H3,(H,22,27)(H,24,25)