3-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: 3-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: 3-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]propanoate CAS Name: 3-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]propanoate IUPAC Name: 3-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]propanoate Traditional Name: 3-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]propionate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-2-3-10-19-16(23)12-7-5-4-6-11(12)14(18-19)15(22)17-9-8-13(20)21/h4-7H,2-3,8-10H2,1H3,(H,17,22)(H,20,21)/p-1