2-[[2-[(4-tert-butylphenyl)methyl]-3-oxidanyl-5-oxidanylidene-6-propan-2-yl-pyridazin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)methyl]-3-oxidanyl-5-oxidanylidene-6-propan-2-yl-pyridazin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-[(4-tert-butylphenyl)methyl]-3-hydroxy-6-isopropyl-5-oxo-pyridazine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[2-[(4-tert-butylphenyl)methyl]-3-hydroxy-5-oxo-6-propan-2-yl-4-pyridazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-tert-butylphenyl)methyl]-3-hydroxy-5-oxo-6-propan-2-ylpyridazine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[2-(4-tert-butylbenzyl)-3-hydroxy-6-isopropyl-5-keto-pyridazine-4-carbonyl]amino]acetic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C(C1=O)C(=O)NCC(=O)O)O)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)C1=NN(C(=C(C1=O)C(=O)NCC(=O)O)O)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27N3O5/c1-12(2)17-18(27)16(19(28)22-10-15(25)26)20(29)24(23-17)11-13-6-8-14(9-7-13)21(3,4)5/h6-9,12,29H,10-11H2,1-5H3,(H,22,28)(H,25,26)