2-[4-[[2-butyl-5-(carboxymethyl)-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-(carboxymethyl)-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-(carboxymethyl)-4-oxo-1H-pyrimidin-6-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-(carboxymethyl)-4-oxo-1H-pyrimidin-6-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-(carboxymethyl)-4-oxo-1H-pyrimidin-6-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-(carboxymethyl)-4-keto-1H-pyrimidin-6-yl]methyl]phenyl]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C(=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC(=O)O

Isomeric SMILES

CCCCC1=NC(=O)C(=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC(=O)O

InChI

InChI=1S/C24H24N2O5/c1-2-3-8-21-25-20(19(14-22(27)28)23(29)26-21)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)24(30)31/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,27,28)(H,30,31)(H,25,26,29)