3-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzoic acid

Systemtic Name: 3-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzoic acid Openeye Name: 3-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzoic acid CAS Name: 3-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzoic acid IUPAC Name: 3-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzoic acid Traditional Name: 3-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzoic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C5=CC=CC(=C5)C(=O)O

InChI

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