4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]benzoate

Systemtic Name: 4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]benzoate Openeye Name: 4-[5-(1-adamantyl)triazol-1-yl]benzoate CAS Name: 4-[5-(1-adamantyl)-1-triazolyl]benzoate IUPAC Name: 4-[5-(1-adamantyl)triazol-1-yl]benzoate Traditional Name: 4-[5-(1-adamantyl)triazol-1-yl]benzoate Formula: C19H20N3O2- MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C19H21N3O2/c23-18(24)15-1-3-16(4-2-15)22-17(11-20-21-22)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,23,24)/p-1