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

Systemtic Name: 2-[3-[5-chloranyl-4-[(3-hydroxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(3-hydroxyanilino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-(3-hydroxyanilino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-4-(3-hydroxyanilino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c23-19-17(25-15-2-1-3-16(27)5-15)11-24-26(20(19)30)22-8-13-4-14(9-22)7-21(6-13,12-22)10-18(28)29/h1-3,5,11,13-14,25,27H,4,6-10,12H2,(H,28,29)