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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(CCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(CCC3=CC=CC=N3)C(=O)O

InChI

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