3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoic acid Openeye Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxo-4-pyridazinyl]amino]benzoic acid IUPAC Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxopyridazin-4-yl]amino]benzoic acid Traditional Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-keto-pyridazin-4-yl]amino]benzoic acid Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=CC(=C5)C(=O)O)Cl)CC(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=CC(=C5)C(=O)O)Cl)CC(=O)O

InChI

InChI=1S/C23H24ClN3O5/c24-19-17(26-16-3-1-2-15(5-16)21(31)32)11-25-27(20(19)30)23-8-13-4-14(9-23)7-22(6-13,12-23)10-18(28)29/h1-3,5,11,13-14,26H,4,6-10,12H2,(H,28,29)(H,31,32)