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

Systemtic Name: 4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[6-(4-bromophenyl)-5-carbethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C18H21BrN2O5 MolecularWeight: 425.27374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O5/c1-3-26-17(24)15-11(2)21(10-4-5-14(22)23)18(25)20-16(15)12-6-8-13(19)9-7-12/h6-9,16H,3-5,10H2,1-2H3,(H,20,25)(H,22,23)