2-methylphenol; 4-(2-methylphenoxy)-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylphenol; 4-(2-methylphenoxy)-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methylphenoxy)-2-phenyl-pyrimidine-5-carboxylic acid; o-cresol CAS Name: 2-methylphenol; 4-(2-methylphenoxy)-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylphenol; 4-(2-methylphenoxy)-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-methylphenoxy)-2-phenyl-pyrimidine-5-carboxylic acid; o-cresol Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1O.CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1O.CC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O3.C7H8O/c1-12-7-5-6-10-15(12)23-17-14(18(21)22)11-19-16(20-17)13-8-3-2-4-9-13;1-6-4-2-3-5-7(6)8/h2-11H,1H3,(H,21,22);2-5,8H,1H3