2-[3-[5-chloranyl-4-[(4-methoxycarbonylphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid

Systemtic Name: 2-[3-[5-chloranyl-4-[(4-methoxycarbonylphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[4-(4-carbomethoxyanilino)-5-chloro-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C24H26ClN3O5 MolecularWeight: 471.93334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

InChI

InChI=1S/C24H26ClN3O5/c1-33-22(32)16-2-4-17(5-3-16)27-18-12-26-28(21(31)20(18)25)24-9-14-6-15(10-24)8-23(7-14,13-24)11-19(29)30/h2-5,12,14-15,27H,6-11,13H2,1H3,(H,29,30)