4-[2-(3-pyrazol-1-ylpropanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(3-pyrazol-1-ylpropanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(3-pyrazol-1-ylpropanoylamino)ethyl]benzoic acid CAS Name: 4-[2-[[1-oxo-3-(1-pyrazolyl)propyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-(3-pyrazol-1-ylpropanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(3-pyrazol-1-ylpropanoylamino)ethyl]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCC(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN(N=C1)CCC(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c19-14(7-11-18-10-1-8-17-18)16-9-6-12-2-4-13(5-3-12)15(20)21/h1-5,8,10H,6-7,9,11H2,(H,16,19)(H,20,21)