5-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-5-keto-valeric acid Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CCCC(=O)O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CCCC(=O)O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-18(2,3)14-11-15(20-16(23)8-5-9-17(24)25)22(21-14)13-7-4-6-12(19)10-13/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,20,23)(H,24,25)