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

Systemtic Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]benzoic acid Openeye Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]benzoic acid CAS Name: 4-[(1-tert-butyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]benzoic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2/c1-15(2,3)18-10-11(9-17-18)8-16-13-6-4-12(5-7-13)14(19)20/h4-7,9-10,16H,8H2,1-3H3,(H,19,20)