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

Systemtic Name: 4-[6-(4-bromophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-(4-bromophenyl)-5-tert-butoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(4-bromophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(4-bromophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[6-(4-bromophenyl)-5-tert-butoxycarbonyl-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25BrN2O5/c1-12-16(18(26)28-20(2,3)4)17(13-7-9-14(21)10-8-13)22-19(27)23(12)11-5-6-15(24)25/h7-10,17H,5-6,11H2,1-4H3,(H,22,27)(H,24,25)