4-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoic acid

Systemtic Name: 4-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoic acid Openeye Name: 4-(5,7-dimethyl-4-oxo-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoic acid CAS Name: 4-(5,7-dimethyl-4-oxo-3-phenyl-6-pyrrolo[3,4-d]pyridazinyl)butanoic acid IUPAC Name: 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanoic acid Traditional Name: 4-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butyric acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3/c1-12-15-11-19-21(14-7-4-3-5-8-14)18(24)17(15)13(2)20(12)10-6-9-16(22)23/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,22,23)