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

Systemtic Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]-4-methoxy-benzoic acid Openeye Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxo-4-pyridazinyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-oxopyridazin-4-yl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[1-[3-(carboxymethyl)-1-adamantyl]-5-chloro-6-keto-pyridazin-4-yl]amino]-4-methoxy-benzoic acid Formula: C24H26ClN3O6 MolecularWeight: 487.93274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O6/c1-34-18-3-2-15(22(32)33)5-16(18)27-17-11-26-28(21(31)20(17)25)24-8-13-4-14(9-24)7-23(6-13,12-24)10-19(29)30/h2-3,5,11,13-14,27H,4,6-10,12H2,1H3,(H,29,30)(H,32,33)