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

Systemtic Name: 2-[4-[3-[1-[(3,5-dimethylphenyl)methyl]-4-methyl-5-oxidanylidene-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-[1-[(3,5-dimethylphenyl)methyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[1-[(3,5-dimethylphenyl)methyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-[1-[(3,5-dimethylphenyl)methyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[1-(3,5-dimethylbenzyl)-5-keto-4-methyl-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propionic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(=O)N(C(=N2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C(=O)N(C(=N2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O)C)C

InChI

InChI=1S/C25H31N3O4/c1-17-13-18(2)15-20(14-17)16-28-24(31)27(5)22(26-28)8-6-7-19-9-11-21(12-10-19)32-25(3,4)23(29)30/h9-15H,6-8,16H2,1-5H3,(H,29,30)