methyl 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoate

Systemtic Name: methyl 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoate Openeye Name: methyl 4-(o-tolyl)-5-oxo-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoate CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(4-pyridazinylmethoxy)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 4-(2-methylphenyl)-5-oxo-5-[3-(pyridazin-4-ylmethoxy)phenyl]pentanoate Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(pyridazin-4-ylmethoxy)phenyl]valeric acid methyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4/c1-17-6-3-4-9-21(17)22(10-11-23(27)29-2)24(28)19-7-5-8-20(14-19)30-16-18-12-13-25-26-15-18/h3-9,12-15,22H,10-11,16H2,1-2H3