4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoic acid

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoic acid Openeye Name: 4-(o-tolyl)-5-oxo-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoic acid CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(4-pyridazinylmethoxy)phenyl]pentanoic acid IUPAC Name: 4-(2-methylphenyl)-5-oxo-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoic acid Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(pyridazin-4-ylmethoxy)phenyl]valeric acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CN=NC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CN=NC=C3

InChI

InChI=1S/C23H22N2O4/c1-16-5-2-3-8-20(16)21(9-10-22(26)27)23(28)18-6-4-7-19(13-18)29-15-17-11-12-24-25-14-17/h2-8,11-14,21H,9-10,15H2,1H3,(H,26,27)