4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzoic acid Openeye Name: 4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzoic acid CAS Name: 4-[[(1-methyl-3-pyrazolyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzoic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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