3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Openeye Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid CAS Name: 3-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17N3O2/c1-9-13(10(2)17(3)16-9)8-15-12-6-4-5-11(7-12)14(18)19/h4-7,15H,8H2,1-3H3,(H,18,19)