[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-phenyltriazole-4-carboxylate CAS Name: 2-phenyl-4-triazolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-phenyltriazole-4-carboxylate Traditional Name: 2-phenyltriazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H23N3O3/c25-19(21-9-14-6-15(10-21)8-16(7-14)11-21)13-27-20(26)18-12-22-24(23-18)17-4-2-1-3-5-17/h1-5,12,14-16H,6-11,13H2