2-[[4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]-2-chloranyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]-2-chloranyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]-2-chloro-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]amino]-2-chlorophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(5-tert-butyl-2-methylpyrazole-3-carbonyl)amino]-2-chlorobenzoyl]amino]acetic acid Traditional Name: 2-[[4-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]-2-chloro-benzoyl]amino]acetic acid Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCC(=O)O)Cl)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCC(=O)O)Cl)C

InChI

InChI=1S/C18H21ClN4O4/c1-18(2,3)14-8-13(23(4)22-14)17(27)21-10-5-6-11(12(19)7-10)16(26)20-9-15(24)25/h5-8H,9H2,1-4H3,(H,20,26)(H,21,27)(H,24,25)