tert-butyl 3-[5-chloranyl-4-[(4-methoxy-3-pentoxy-phenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]propanoate

Systemtic Name: tert-butyl 3-[5-chloranyl-4-[(4-methoxy-3-pentoxy-phenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]propanoate Openeye Name: tert-butyl 3-[5-chloro-4-[(4-methoxy-3-pentoxy-phenyl)methylamino]-6-oxo-pyridazin-1-yl]propanoate CAS Name: 3-[5-chloro-4-[(4-methoxy-3-pentoxyphenyl)methylamino]-6-oxo-1-pyridazinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-chloro-4-[(4-methoxy-3-pentoxyphenyl)methylamino]-6-oxopyridazin-1-yl]propanoate Traditional Name: 3-[4-[(3-amoxy-4-methoxy-benzyl)amino]-5-chloro-6-keto-pyridazin-1-yl]propionic acid tert-butyl ester Formula: C24H34ClN3O5 MolecularWeight: 479.99686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2)CCC(=O)OC(C)(C)C)Cl)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2)CCC(=O)OC(C)(C)C)Cl)OC

InChI

InChI=1S/C24H34ClN3O5/c1-6-7-8-13-32-20-14-17(9-10-19(20)31-5)15-26-18-16-27-28(23(30)22(18)25)12-11-21(29)33-24(2,3)4/h9-10,14,16,26H,6-8,11-13,15H2,1-5H3