4-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)butanoic acid

Systemtic Name: 4-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)butanoic acid Openeye Name: 4-[1-oxo-4-(3-pyridyl)phthalazin-2-yl]butanoic acid CAS Name: 4-[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]butanoic acid IUPAC Name: 4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoic acid Traditional Name: 4-[1-keto-4-(3-pyridyl)phthalazin-2-yl]butyric acid Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C17H15N3O3/c21-15(22)8-4-10-20-17(23)14-7-2-1-6-13(14)16(19-20)12-5-3-9-18-11-12/h1-3,5-7,9,11H,4,8,10H2,(H,21,22)