4-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]butanoic acid Openeye Name: 4-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]butanoic acid CAS Name: 4-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]butanoic acid IUPAC Name: 4-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]butanoic acid Traditional Name: 4-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]butyric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC(=O)O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC(=O)O

InChI

InChI=1S/C16H19N3O4/c1-10(2)19-16(23)12-7-4-3-6-11(12)14(18-19)15(22)17-9-5-8-13(20)21/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,22)(H,20,21)