2-[4-oxidanylidene-3-(quinolin-2-ylmethyl)phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-(quinolin-2-ylmethyl)phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-(2-quinolylmethyl)phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-(2-quinolinylmethyl)-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-(quinolin-2-ylmethyl)phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-(2-quinolylmethyl)phthalazin-1-yl]acetic acid Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C20H15N3O3/c24-19(25)11-18-15-6-2-3-7-16(15)20(26)23(22-18)12-14-10-9-13-5-1-4-8-17(13)21-14/h1-10H,11-12H2,(H,24,25)