[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl 3-phenylpropanoate

Systemtic Name: [4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl 3-phenylpropanoate Openeye Name: [4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl ester IUPAC Name: [4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)benzyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC=C(C=C2)COC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)NN=C1C2=CC=C(C=C2)COC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c23-19-12-11-18(21-22-19)17-9-6-16(7-10-17)14-25-20(24)13-8-15-4-2-1-3-5-15/h1-7,9-10H,8,11-14H2,(H,22,23)