3-(2-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]triazol-3-yl)propyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]tetradecanoate

Systemtic Name: 3-(2-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]triazol-3-yl)propyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]tetradecanoate Openeye Name: 3-(2-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]triazol-3-yl)propyl 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]tetradecanoate CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]tetradecanoic acid 3-(2-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]triazol-3-yl)propyl ester IUPAC Name: 3-(2-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]triazol-3-yl)propyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]tetradecanoate Traditional Name: 2-(2,4-ditert-amylphenoxy)myristic acid 3-(2-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]triazol-3-yl)propyl ester Formula: C38H64N4O3 MolecularWeight: 624.93976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)OCCCN1C(N=C2N1NC=C2)C)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)OCCCN1C(N=C2N1NC=C2)C)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C38H64N4O3/c1-9-12-13-14-15-16-17-18-19-20-22-34(36(43)44-28-21-27-41-30(4)40-35-25-26-39-42(35)41)45-33-24-23-31(37(5,6)10-2)29-32(33)38(7,8)11-3/h23-26,29-30,34,39H,9-22,27-28H2,1-8H3