3-methyl-4-pyridin-4-yl-benzoic acid

Systemtic Name: 3-methyl-4-pyridin-4-yl-benzoic acid Openeye Name: 3-methyl-4-(4-pyridyl)benzoic acid CAS Name: 3-methyl-4-pyridin-4-ylbenzoic acid IUPAC Name: 3-methyl-4-pyridin-4-ylbenzoic acid Traditional Name: 3-methyl-4-(4-pyridyl)benzoic acid Formula: C13H11NO2 MolecularWeight: 213.23194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C13H11NO2/c1-9-8-11(13(15)16)2-3-12(9)10-4-6-14-7-5-10/h2-8H,1H3,(H,15,16)