3-[5-ethyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]propanoic acid Openeye Name: 3-[5-ethyl-2-(4-isopropylphenyl)-1,2,4-triazol-3-yl]propanoic acid CAS Name: 3-[5-ethyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]propanoic acid IUPAC Name: 3-[5-ethyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]propanoic acid Traditional Name: 3-(5-ethyl-2-p-cumenyl-1,2,4-triazol-3-yl)propionic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-4-14-17-15(9-10-16(20)21)19(18-14)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)