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

Systemtic Name: 2-[3-[5-chloranyl-4-[(2-methoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(2-methoxyanilino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-(2-methoxyanilino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-(2-methoxyanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-6-keto-4-(o-anisidino)pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

InChI

InChI=1S/C23H26ClN3O4/c1-31-18-5-3-2-4-16(18)26-17-12-25-27(21(30)20(17)24)23-9-14-6-15(10-23)8-22(7-14,13-23)11-19(28)29/h2-5,12,14-15,26H,6-11,13H2,1H3,(H,28,29)