3-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid

Systemtic Name: 3-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid Openeye Name: 3-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid CAS Name: 3-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid IUPAC Name: 3-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)propanoic acid Traditional Name: 3-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)propionic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=N1)CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC1=NN(C(=N1)CCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2/c1-2-11-14-12(8-9-13(17)18)16(15-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)