2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylamino]-3-methyl-butyric acid Formula: C11H18ClN3O2 MolecularWeight: 259.73252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC(C(C)C)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CNC(C(C)C)C(=O)O)Cl)C

InChI

InChI=1S/C11H18ClN3O2/c1-6(2)9(11(16)17)13-5-8-7(3)14-15(4)10(8)12/h6,9,13H,5H2,1-4H3,(H,16,17)