5-[(1-tert-butylpyrazol-4-yl)methylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(1-tert-butylpyrazol-4-yl)methylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(1-tert-butylpyrazol-4-yl)methylamino]-2-chloro-benzoic acid CAS Name: 5-[(1-tert-butyl-4-pyrazolyl)methylamino]-2-chlorobenzoic acid IUPAC Name: 5-[(1-tert-butylpyrazol-4-yl)methylamino]-2-chlorobenzoic acid Traditional Name: 5-[(1-tert-butylpyrazol-4-yl)methylamino]-2-chloro-benzoic acid Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C=N1)CNC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C=N1)CNC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H18ClN3O2/c1-15(2,3)19-9-10(8-18-19)7-17-11-4-5-13(16)12(6-11)14(20)21/h4-6,8-9,17H,7H2,1-3H3,(H,20,21)