4-[[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-hexyl-4-oxo-phthalazine-1-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(3-hexyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-hexyl-4-oxophthalazine-1-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-hexyl-4-keto-phthalazine-1-carbonyl)amino]methyl]benzoic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-2-3-4-7-14-26-22(28)19-9-6-5-8-18(19)20(25-26)21(27)24-15-16-10-12-17(13-11-16)23(29)30/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,24,27)(H,29,30)