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

Systemtic Name: 4-[[2-butyl-5-(carboxymethyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-(carboxymethyl)-6-hydroxy-4-oxo-pyrimidin-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-(carboxymethyl)-6-hydroxy-4-oxo-1-pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-(carboxymethyl)-6-hydroxy-4-oxopyrimidin-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-(carboxymethyl)-6-hydroxy-4-keto-pyrimidin-1-yl]methyl]benzoic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C(=C(N1CC2=CC=C(C=C2)C(=O)O)O)CC(=O)O

Isomeric SMILES

CCCCC1=NC(=O)C(=C(N1CC2=CC=C(C=C2)C(=O)O)O)CC(=O)O

InChI

InChI=1S/C18H20N2O6/c1-2-3-4-14-19-16(23)13(9-15(21)22)17(24)20(14)10-11-5-7-12(8-6-11)18(25)26/h5-8,24H,2-4,9-10H2,1H3,(H,21,22)(H,25,26)