(2R)-2-[6-oxidanylidene-3-(4-propan-2-ylphenyl)pyridazin-1-yl]propanoic acid

Systemtic Name: (2R)-2-[6-oxidanylidene-3-(4-propan-2-ylphenyl)pyridazin-1-yl]propanoic acid Openeye Name: (2R)-2-[3-(4-isopropylphenyl)-6-oxo-pyridazin-1-yl]propanoic acid CAS Name: (2R)-2-[6-oxo-3-(4-propan-2-ylphenyl)-1-pyridazinyl]propanoic acid IUPAC Name: (2R)-2-[6-oxo-3-(4-propan-2-ylphenyl)pyridazin-1-yl]propanoic acid Traditional Name: (2R)-2-(6-keto-3-p-cumenyl-pyridazin-1-yl)propionic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)O

Isomeric SMILES

C[C@H](C(=O)O)N1C(=O)C=CC(=N1)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H18N2O3/c1-10(2)12-4-6-13(7-5-12)14-8-9-15(19)18(17-14)11(3)16(20)21/h4-11H,1-3H3,(H,20,21)/t11-/m1/s1