3-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid Openeye Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid CAS Name: 3-[(1-tert-butyl-4-pyrazolyl)methylamino]-2-methylbenzoic acid IUPAC Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylbenzoic acid Traditional Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCC2=CN(N=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCC2=CN(N=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C16H21N3O2/c1-11-13(15(20)21)6-5-7-14(11)17-8-12-9-18-19(10-12)16(2,3)4/h5-7,9-10,17H,8H2,1-4H3,(H,20,21)