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

Systemtic Name: 4-[(2-pyrazol-1-ylpropanoylamino)methyl]benzoic acid Openeye Name: 4-[(2-pyrazol-1-ylpropanoylamino)methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(1-pyrazolyl)propyl]amino]methyl]benzoic acid IUPAC Name: 4-[(2-pyrazol-1-ylpropanoylamino)methyl]benzoic acid Traditional Name: 4-[(2-pyrazol-1-ylpropanoylamino)methyl]benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)N2C=CC=N2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)N2C=CC=N2

InChI

InChI=1S/C14H15N3O3/c1-10(17-8-2-7-16-17)13(18)15-9-11-3-5-12(6-4-11)14(19)20/h2-8,10H,9H2,1H3,(H,15,18)(H,19,20)