2-(4-oxidanylidene-3-phenethyl-phthalazin-1-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-phthalazin-1-yl)ethanoic acid Openeye Name: 2-(4-oxo-3-phenethyl-phthalazin-1-yl)acetic acid CAS Name: 2-(4-oxo-3-phenethyl-1-phthalazinyl)acetic acid IUPAC Name: 2-(4-oxo-3-phenethylphthalazin-1-yl)acetic acid Traditional Name: 2-(4-keto-3-phenethyl-phthalazin-1-yl)acetic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O

InChI

InChI=1S/C18H16N2O3/c21-17(22)12-16-14-8-4-5-9-15(14)18(23)20(19-16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)