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

Systemtic Name: 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid Openeye Name: 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid CAS Name: 4-[[(1-ethyl-3-pyrazolyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN1C=CC(=N1)CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H17N3O2/c1-2-17-8-7-13(16-17)10-15-9-11-3-5-12(6-4-11)14(18)19/h3-8,15H,2,9-10H2,1H3,(H,18,19)