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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c1-2-16-9-10(8-15-16)7-14-12-5-3-11(4-6-12)13(17)18/h3-6,8-9,14H,2,7H2,1H3,(H,17,18)