5-[3-[[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]methyl]phenoxy]pentanoic acid

Systemtic Name: 5-[3-[[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]methyl]phenoxy]pentanoic acid Openeye Name: 5-[3-[[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]methyl]phenoxy]pentanoic acid CAS Name: 5-[3-[[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]methyl]phenoxy]pentanoic acid IUPAC Name: 5-[3-[[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]methyl]phenoxy]pentanoic acid Traditional Name: 5-[3-[[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]methyl]phenoxy]valeric acid Formula: C19H24ClN3O4 MolecularWeight: 393.86456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(C=N1)NCC2=CC(=CC=C2)OCCCCC(=O)O)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=C(C=N1)NCC2=CC(=CC=C2)OCCCCC(=O)O)Cl

InChI

InChI=1S/C19H24ClN3O4/c1-13(2)23-19(26)18(20)16(12-22-23)21-11-14-6-5-7-15(10-14)27-9-4-3-8-17(24)25/h5-7,10,12-13,21H,3-4,8-9,11H2,1-2H3,(H,24,25)