4-[[(2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[(2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[(1S)-2-hydroxy-1-[[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]methyl]-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 4-[[[(2S)-1-hydroxy-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[(2S)-1-hydroxy-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[(1S)-2-hydroxy-2-keto-1-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)benzyl]ethyl]carbamoyl]benzoic acid Formula: C23H21N3O7 MolecularWeight: 451.42874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H21N3O7/c1-26-21(28)19(18(33-2)12-24-26)14-5-3-13(4-6-14)11-17(23(31)32)25-20(27)15-7-9-16(10-8-15)22(29)30/h3-10,12,17H,11H2,1-2H3,(H,25,27)(H,29,30)(H,31,32)/t17-/m0/s1