2-(2-methylphenyl)-4-(pyridazin-4-ylmethoxymethyl)benzoic acid

Systemtic Name: 2-(2-methylphenyl)-4-(pyridazin-4-ylmethoxymethyl)benzoic acid Openeye Name: 2-(o-tolyl)-4-(pyridazin-4-ylmethoxymethyl)benzoic acid CAS Name: 2-(2-methylphenyl)-4-(4-pyridazinylmethoxymethyl)benzoic acid IUPAC Name: 2-(2-methylphenyl)-4-(pyridazin-4-ylmethoxymethyl)benzoic acid Traditional Name: 2-(o-tolyl)-4-(pyridazin-4-ylmethoxymethyl)benzoic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CN=NC=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CN=NC=C3)C(=O)O

InChI

InChI=1S/C20H18N2O3/c1-14-4-2-3-5-17(14)19-10-15(6-7-18(19)20(23)24)12-25-13-16-8-9-21-22-11-16/h2-11H,12-13H2,1H3,(H,23,24)