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

Systemtic Name: 2-methyl-2-[4-[3-(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[3-(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid Traditional Name: 2-[4-[3-(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propionic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)O

Isomeric SMILES

CCCN1C(=NNC1=O)CCCC2=CC=C(C=C2)OC(C)(C)C(=O)O

InChI

InChI=1S/C18H25N3O4/c1-4-12-21-15(19-20-17(21)24)7-5-6-13-8-10-14(11-9-13)25-18(2,3)16(22)23/h8-11H,4-7,12H2,1-3H3,(H,20,24)(H,22,23)