2-methyl-2-[4-[3-(3-phenethyl-1H-1,2,4-triazol-5-yl)propyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[3-(3-phenethyl-1H-1,2,4-triazol-5-yl)propyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-(3-phenethyl-1H-1,2,4-triazol-5-yl)propyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[3-(3-phenethyl-1H-1,2,4-triazol-5-yl)propyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-(3-phenethyl-1H-1,2,4-triazol-5-yl)propyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[3-(3-phenethyl-1H-1,2,4-triazol-5-yl)propyl]phenoxy]propionic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCC2=NC(=NN2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCC2=NC(=NN2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3/c1-23(2,22(27)28)29-19-14-11-18(12-15-19)9-6-10-20-24-21(26-25-20)16-13-17-7-4-3-5-8-17/h3-5,7-8,11-12,14-15H,6,9-10,13,16H2,1-2H3,(H,27,28)(H,24,25,26)