2-(4-chlorophenyl)-4-(2-methylpropoxy)-6-propyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-4-(2-methylpropoxy)-6-propyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-4-isobutoxy-6-propyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-4-(2-methylpropoxy)-6-propyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-(2-methylpropoxy)-6-propylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-4-isobutoxy-6-propyl-pyrimidine-5-carboxylic acid Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)OCC(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)OCC(C)C)C(=O)O

InChI

InChI=1S/C18H21ClN2O3/c1-4-5-14-15(18(22)23)17(24-10-11(2)3)21-16(20-14)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,22,23)