4,4-dimethyl-1-(4-phenylphenoxy)-3-(1,2,4-triazol-1-yl)pentan-3-ol

Systemtic Name: 4,4-dimethyl-1-(4-phenylphenoxy)-3-(1,2,4-triazol-1-yl)pentan-3-ol Openeye Name: 4,4-dimethyl-1-(4-phenylphenoxy)-3-(1,2,4-triazol-1-yl)pentan-3-ol CAS Name: 4,4-dimethyl-1-(4-phenylphenoxy)-3-(1,2,4-triazol-1-yl)-3-pentanol IUPAC Name: 4,4-dimethyl-1-(4-phenylphenoxy)-3-(1,2,4-triazol-1-yl)pentan-3-ol Traditional Name: 4,4-dimethyl-1-(4-phenylphenoxy)-3-(1,2,4-triazol-1-yl)pentan-3-ol Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCOC1=CC=C(C=C1)C2=CC=CC=C2)(N3C=NC=N3)O

Isomeric SMILES

CC(C)(C)C(CCOC1=CC=C(C=C1)C2=CC=CC=C2)(N3C=NC=N3)O

InChI

InChI=1S/C21H25N3O2/c1-20(2,3)21(25,24-16-22-15-23-24)13-14-26-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16,25H,13-14H2,1-3H3