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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)C(=O)O)N2C=CC=N2

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)C(=O)O)N2C=CC=N2

InChI

InChI=1S/C15H17N3O3/c1-11(18-10-2-8-17-18)14(19)16-9-7-12-3-5-13(6-4-12)15(20)21/h2-6,8,10-11H,7,9H2,1H3,(H,16,19)(H,20,21)