tert-butyl 5-[3-[[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]methyl]phenoxy]pentanoate

Systemtic Name: tert-butyl 5-[3-[[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]methyl]phenoxy]pentanoate Openeye Name: tert-butyl 5-[3-[[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]methyl]phenoxy]pentanoate CAS Name: 5-[3-[[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]methyl]phenoxy]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-[[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]methyl]phenoxy]pentanoate Traditional Name: 5-[3-[[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]methyl]phenoxy]valeric acid tert-butyl ester Formula: C23H32ClN3O4 MolecularWeight: 449.97088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN3O4/c1-16(2)27-22(29)21(24)19(15-26-27)25-14-17-9-8-10-18(13-17)30-12-7-6-11-20(28)31-23(3,4)5/h8-10,13,15-16,25H,6-7,11-12,14H2,1-5H3