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

Systemtic Name: 2-methyl-2-[4-[3-[5-[(4-methylphenyl)methyl]-2-(2-oxidanylidenebutyl)-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-[2-(2-oxobutyl)-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[3-[5-[(4-methylphenyl)methyl]-2-(2-oxobutyl)-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-[5-[(4-methylphenyl)methyl]-2-(2-oxobutyl)-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid Traditional Name: 2-[4-[3-[2-(2-ketobutyl)-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propionic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C(=NC(=N1)CC2=CC=C(C=C2)C)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCC(=O)CN1C(=NC(=N1)CC2=CC=C(C=C2)C)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C27H33N3O4/c1-5-22(31)18-30-25(28-24(29-30)17-21-11-9-19(2)10-12-21)8-6-7-20-13-15-23(16-14-20)34-27(3,4)26(32)33/h9-16H,5-8,17-18H2,1-4H3,(H,32,33)