4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid Openeye Name: 4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid CAS Name: 4-[[(1-methyl-4-pyrazolyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-16-9-11(8-15-16)7-14-6-10-2-4-12(5-3-10)13(17)18/h2-5,8-9,14H,6-7H2,1H3,(H,17,18)