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

Systemtic Name: 2-[3-[5-chloranyl-4-[(2,4-dimethoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-4-(2,4-dimethoxyanilino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C24H28ClN3O5 MolecularWeight: 473.94922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl)OC

InChI

InChI=1S/C24H28ClN3O5/c1-32-16-3-4-17(19(6-16)33-2)27-18-12-26-28(22(31)21(18)25)24-9-14-5-15(10-24)8-23(7-14,13-24)11-20(29)30/h3-4,6,12,14-15,27H,5,7-11,13H2,1-2H3,(H,29,30)