2-[3-[2-(6-methylheptoxy)phenyl]-1H-1,2,4-triazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-[2-(6-methylheptoxy)phenyl]-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-[2-(6-methylheptoxy)phenyl]-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-[2-(6-methylheptoxy)phenyl]-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-[2-(6-methylheptoxy)phenyl]-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-[2-(6-methylheptoxy)phenyl]-1H-1,2,4-triazol-5-yl]acetic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC1=CC=CC=C1C2=NNC(=N2)CC(=O)O

Isomeric SMILES

CC(C)CCCCCOC1=CC=CC=C1C2=NNC(=N2)CC(=O)O

InChI

InChI=1S/C18H25N3O3/c1-13(2)8-4-3-7-11-24-15-10-6-5-9-14(15)18-19-16(20-21-18)12-17(22)23/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,22,23)(H,19,20,21)