16-methylheptadecyl 2-(1,2,4-triazol-1-yl)ethanoate

Systemtic Name: 16-methylheptadecyl 2-(1,2,4-triazol-1-yl)ethanoate Openeye Name: 16-methylheptadecyl 2-(1,2,4-triazol-1-yl)acetate CAS Name: 2-(1,2,4-triazol-1-yl)acetic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl 2-(1,2,4-triazol-1-yl)acetate Traditional Name: 2-(1,2,4-triazol-1-yl)acetic acid 16-methylheptadecyl ester Formula: C22H41N3O2 MolecularWeight: 379.57984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)CN1C=NC=N1

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)CN1C=NC=N1

InChI

InChI=1S/C22H41N3O2/c1-21(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-27-22(26)18-25-20-23-19-24-25/h19-21H,3-18H2,1-2H3