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

Systemtic Name: 2-[4-[[2-butyl-5-(carboxymethyl)-6-chloranyl-pyrimidin-4-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-(carboxymethyl)-6-chloro-pyrimidin-4-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-(carboxymethyl)-6-chloro-4-pyrimidinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-(carboxymethyl)-6-chloropyrimidin-4-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-(carboxymethyl)-6-chloro-pyrimidin-4-yl]methyl]phenyl]benzoic acid Formula: C24H23ClN2O4 MolecularWeight: 438.90342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2O4/c1-2-3-8-21-26-20(19(14-22(28)29)23(25)27-21)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,28,29)(H,30,31)