4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-9-13(10(2)18-17-9)7-14(19)16-8-11-3-5-12(6-4-11)15(20)21/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)