[2,2-dimethyl-1-phenoxy-4-(1,2,4-triazol-1-yl)octan-3-yl] ethanoate

Systemtic Name: [2,2-dimethyl-1-phenoxy-4-(1,2,4-triazol-1-yl)octan-3-yl] ethanoate Openeye Name: [1-(1,1-dimethyl-2-phenoxy-ethyl)-2-(1,2,4-triazol-1-yl)hexyl] acetate CAS Name: acetic acid [2,2-dimethyl-1-phenoxy-4-(1,2,4-triazol-1-yl)octan-3-yl] ester IUPAC Name: [2,2-dimethyl-1-phenoxy-4-(1,2,4-triazol-1-yl)octan-3-yl] acetate Traditional Name: acetic acid [1-(1,1-dimethyl-2-phenoxy-ethyl)-2-(1,2,4-triazol-1-yl)hexyl] ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C)(C)COC1=CC=CC=C1)OC(=O)C)N2C=NC=N2

Isomeric SMILES

CCCCC(C(C(C)(C)COC1=CC=CC=C1)OC(=O)C)N2C=NC=N2

InChI

InChI=1S/C20H29N3O3/c1-5-6-12-18(23-15-21-14-22-23)19(26-16(2)24)20(3,4)13-25-17-10-8-7-9-11-17/h7-11,14-15,18-19H,5-6,12-13H2,1-4H3