2-methyl-2-[4-[3-[5-[(4-methylphenyl)methyl]-2-(7-oxidanylheptyl)-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[3-[5-[(4-methylphenyl)methyl]-2-(7-oxidanylheptyl)-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid Openeye Name: 2-[4-[3-[2-(7-hydroxyheptyl)-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[2-(7-hydroxyheptyl)-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-[2-(7-hydroxyheptyl)-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[2-(7-hydroxyheptyl)-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propionic acid Formula: C30H41N3O4 MolecularWeight: 507.66424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN(C(=N2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O)CCCCCCCO

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN(C(=N2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O)CCCCCCCO

InChI

InChI=1S/C30H41N3O4/c1-23-12-14-25(15-13-23)22-27-31-28(33(32-27)20-7-5-4-6-8-21-34)11-9-10-24-16-18-26(19-17-24)37-30(2,3)29(35)36/h12-19,34H,4-11,20-22H2,1-3H3,(H,35,36)