4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoic acid Openeye Name: 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoic acid CAS Name: 4-[2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoic acid Traditional Name: 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoic acid Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCN2C=NC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCN2C=NC=N2)C(=O)O

InChI

InChI=1S/C14H16N4O3/c19-13(6-8-18-10-15-9-17-18)16-7-5-11-1-3-12(4-2-11)14(20)21/h1-4,9-10H,5-8H2,(H,16,19)(H,20,21)