[2-[4-(5-tert-butyl-1,2,3-triazol-1-yl)phenyl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[4-(5-tert-butyl-1,2,3-triazol-1-yl)phenyl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[4-(5-tert-butyl-1-triazolyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-keto-ethyl] ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O3/c1-24(2,3)22-14-26-27-28(22)20-6-4-19(5-7-20)21(29)15-31-23(30)25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,14,16-18H,8-13,15H2,1-3H3