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

Systemtic Name: 2-methyl-2-[4-[3-(5-oxidanylidene-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-(5-oxo-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[3-(5-oxo-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-(5-oxo-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid Traditional Name: 2-[4-[3-(5-keto-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propionic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=O)CCC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCCN1C(=NN(C1=O)CCC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C26H33N3O4/c1-4-18-28-23(27-29(25(28)32)19-17-20-9-6-5-7-10-20)12-8-11-21-13-15-22(16-14-21)33-26(2,3)24(30)31/h5-7,9-10,13-16H,4,8,11-12,17-19H2,1-3H3,(H,30,31)