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

Systemtic Name: 2-[(5S,7R)-3-(5-methyl-1,2,3,4-tetrazol-2-yl)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-(5-methyl-2-tetrazolyl)-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]acetate Formula: C14H19N4O2- MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)[O-]

Isomeric SMILES

CC1=NN(N=N1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)[O-]

InChI

InChI=1S/C14H20N4O2/c1-9-15-17-18(16-9)14-5-10-2-11(6-14)4-13(3-10,8-14)7-12(19)20/h10-11H,2-8H2,1H3,(H,19,20)/p-1/t10-,11+,13?,14?