2-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]acetate Formula: C14H18N3O2- MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)CC(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC=N4)CC(=O)[O-]

InChI

InChI=1S/C14H19N3O2/c18-12(19)6-13-2-10-1-11(3-13)5-14(4-10,7-13)17-9-15-8-16-17/h8-11H,1-7H2,(H,18,19)/p-1/t10-,11+,13?,14?