4-[[(1,3,5-trimethylpyrazol-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1,3,5-trimethylpyrazol-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(1,3,5-trimethyl-4-pyrazolyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-9-13(10(2)18(3)17-9)14(19)16-8-11-4-6-12(7-5-11)15(20)21/h4-7H,8H2,1-3H3,(H,16,19)(H,20,21)