sodium 3-methyl-2-(2-methylpropyl)-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]pentanoate

Systemtic Name: sodium 3-methyl-2-(2-methylpropyl)-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]pentanoate Openeye Name: sodium 2-isobutyl-3-methyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoate CAS Name: sodium 3-methyl-2-(2-methylpropyl)-5-oxo-5-[(1-phenyl-3-pyrazolyl)amino]pentanoate IUPAC Name: sodium 3-methyl-2-(2-methylpropyl)-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoate Traditional Name: sodium 2-isobutyl-5-keto-3-methyl-5-[(1-phenylpyrazol-3-yl)amino]valerate Formula: C19H24N3NaO3 MolecularWeight: 365.40193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H25N3O3.Na/c1-13(2)11-16(19(24)25)14(3)12-18(23)20-17-9-10-22(21-17)15-7-5-4-6-8-15;/h4-10,13-14,16H,11-12H2,1-3H3,(H,24,25)(H,20,21,23);/q;+1/p-1