4-(2-chloranylphenoxy)-2-(3-fluoranyl-4-methyl-phenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranylphenoxy)-2-(3-fluoranyl-4-methyl-phenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chlorophenoxy)-2-(3-fluoro-4-methyl-phenyl)pyrimidine-5-carboxylic acid CAS Name: 4-(2-chlorophenoxy)-2-(3-fluoro-4-methylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chlorophenoxy)-2-(3-fluoro-4-methylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 4-(2-chlorophenoxy)-2-(3-fluoro-4-methyl-phenyl)pyrimidine-5-carboxylic acid Formula: C18H12ClFN2O3 MolecularWeight: 358.750883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC=C(C(=N2)OC3=CC=CC=C3Cl)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC=C(C(=N2)OC3=CC=CC=C3Cl)C(=O)O)F

InChI

InChI=1S/C18H12ClFN2O3/c1-10-6-7-11(8-14(10)20)16-21-9-12(18(23)24)17(22-16)25-15-5-3-2-4-13(15)19/h2-9H,1H3,(H,23,24)