4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]benzoic acid Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]benzoic acid CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]benzoic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCN1C(=C(C=N1)CNC2=CC=C(C=C2)C(=O)O)C

InChI

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