2-methyl-3-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 2-methyl-3-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]benzoic acid Openeye Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 2-methyl-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 3-[(3-isopropyl-1-methyl-pyrazol-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=C2C(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCC2=CN(N=C2C(C)C)C)C(=O)O

InChI

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