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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-phthalazin-1-yl)ethanoic acid Openeye Name: 2-(3-butyl-4-oxo-phthalazin-1-yl)acetic acid CAS Name: 2-(3-butyl-4-oxo-1-phthalazinyl)acetic acid IUPAC Name: 2-(3-butyl-4-oxophthalazin-1-yl)acetic acid Traditional Name: 2-(3-butyl-4-keto-phthalazin-1-yl)acetic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O

InChI

InChI=1S/C14H16N2O3/c1-2-3-8-16-14(19)11-7-5-4-6-10(11)12(15-16)9-13(17)18/h4-7H,2-3,8-9H2,1H3,(H,17,18)