2-(4-butoxyphenyl)-4-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-4-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-4-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-4-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-4-methyl-pyrimidine-5-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-3-4-9-21-13-7-5-12(6-8-13)15-17-10-14(16(19)20)11(2)18-15/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)