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

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]ethanoic acid Openeye Name: 2-(3-benzyl-4-oxo-phthalazin-1-yl)acetic acid CAS Name: 2-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]acetic acid IUPAC Name: 2-(3-benzyl-4-oxophthalazin-1-yl)acetic acid Traditional Name: 2-(3-benzyl-4-keto-phthalazin-1-yl)acetic acid Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O

InChI

InChI=1S/C17H14N2O3/c20-16(21)10-15-13-8-4-5-9-14(13)17(22)19(18-15)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)