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

Systemtic Name: 5-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-5-keto-valeric acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCCC(=O)O

InChI

InChI=1S/C19H25N3O3/c1-13-7-5-8-14(11-13)22-16(12-15(21-22)19(2,3)4)20-17(23)9-6-10-18(24)25/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,20,23)(H,24,25)