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

Systemtic Name: 4-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]butanoic acid Openeye Name: 4-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]butanoic acid CAS Name: 4-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]butanoic acid IUPAC Name: 4-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]butanoic acid Traditional Name: 4-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]butyric acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c24-17(25)11-6-12-21-19(26)18-15-9-4-5-10-16(15)20(27)23(22-18)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,21,26)(H,24,25)