4-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-4-keto-butyric acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-12-6-5-7-13(10-12)21-15(11-14(20-21)18(2,3)4)19-16(22)8-9-17(23)24/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)(H,23,24)