2-(4-chlorophenyl)-4-ethyl-6-pentan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-4-ethyl-6-pentan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-4-ethyl-6-(1-methylbutyl)pyrimidine-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-4-ethyl-6-pentan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-ethyl-6-pentan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-4-ethyl-6-(1-methylbutyl)pyrimidine-5-carboxylic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=NC(=C1C(=O)O)CC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(C)C1=NC(=NC(=C1C(=O)O)CC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-4-6-11(3)16-15(18(22)23)14(5-2)20-17(21-16)12-7-9-13(19)10-8-12/h7-11H,4-6H2,1-3H3,(H,22,23)