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

Systemtic Name: 2-[4-[6-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[6-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]phenyl]acetic acid CAS Name: 2-[4-[6-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]phenyl]acetic acid IUPAC Name: 2-[4-[6-(3-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]phenyl]acetic acid Traditional Name: 2-[4-[6-(3-bromophenyl)-5-carbethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]phenyl]acetic acid Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)CC(=O)O)C

InChI

InChI=1S/C22H21BrN2O5/c1-3-30-21(28)19-13(2)25(17-9-7-14(8-10-17)11-18(26)27)22(29)24-20(19)15-5-4-6-16(23)12-15/h4-10,12,20H,3,11H2,1-2H3,(H,24,29)(H,26,27)