2-[2-[(E)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-[(3-butyl-4-oxo-phthalazine-1-carbonyl)hydrazono]methyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-[(3-butyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-[(3-butyl-4-keto-phthalazine-1-carbonyl)hydrazono]methyl]phenoxy]acetic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=CC=C3OCC(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=CC=C3OCC(=O)O

InChI

InChI=1S/C22H22N4O5/c1-2-3-12-26-22(30)17-10-6-5-9-16(17)20(25-26)21(29)24-23-13-15-8-4-7-11-18(15)31-14-19(27)28/h4-11,13H,2-3,12,14H2,1H3,(H,24,29)(H,27,28)/b23-13+