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

Systemtic Name: 3-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]benzoic acid Openeye Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]benzoic acid CAS Name: 3-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]benzoic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC2=CC=CC(=C2)C(=O)O)C

InChI

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