3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]propanoic acid

Systemtic Name: 3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]propanoic acid Openeye Name: 3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propanoic acid CAS Name: 3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]propanoic acid IUPAC Name: 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoic acid Traditional Name: 3-[1-keto-4-(p-tolyl)phthalazin-2-yl]propionic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)18(23)20(19-17)11-10-16(21)22/h2-9H,10-11H2,1H3,(H,21,22)