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

Systemtic Name: 2-[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(3-hexyl-4-oxo-phthalazine-1-carbonyl)amino]acetic acid CAS Name: 2-[[(3-hexyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3-hexyl-4-oxophthalazine-1-carbonyl)amino]acetic acid Traditional Name: 2-[(3-hexyl-4-keto-phthalazine-1-carbonyl)amino]acetic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)O

InChI

InChI=1S/C17H21N3O4/c1-2-3-4-7-10-20-17(24)13-9-6-5-8-12(13)15(19-20)16(23)18-11-14(21)22/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,18,23)(H,21,22)