2-[4-oxidanylidene-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CC(=O)O

InChI

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