(5S,7R)-3-(5-phenyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(5-phenyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(5-phenyltetrazol-2-yl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(5-phenyl-2-tetrazolyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(5-phenyltetrazol-2-yl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(5-phenyltetrazol-2-yl)adamantane-1-carboxylate Formula: C18H19N4O2- MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4N=C(N=N4)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4N=C(N=N4)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C18H20N4O2/c23-16(24)17-7-12-6-13(8-17)10-18(9-12,11-17)22-20-15(19-21-22)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,24)/p-1/t12-,13+,17?,18?