3-[2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]propanoic acid

Systemtic Name: 3-[2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]propanoic acid Openeye Name: 3-[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazin-4-yl]propanoic acid CAS Name: 3-[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinyl]propanoic acid IUPAC Name: 3-[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]propanoic acid Traditional Name: 3-[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazin-4-yl]propionic acid Formula: C18H19FN2O4 MolecularWeight: 346.352863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CCC(=O)O)CC3CC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CCC(=O)O)CC3CC3)F

InChI

InChI=1S/C18H19FN2O4/c1-25-16-6-4-12(8-14(16)19)15-9-13(5-7-17(22)23)18(24)21(20-15)10-11-2-3-11/h4,6,8-9,11H,2-3,5,7,10H2,1H3,(H,22,23)