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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3/c1-10(18-9-15-8-17-18)13(19)16-7-6-11-2-4-12(5-3-11)14(20)21/h2-5,8-10H,6-7H2,1H3,(H,16,19)(H,20,21)