[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)N5C=NN=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)N5C=NN=N5

InChI

InChI=1S/C20H22N4O3/c25-18(20-8-13-5-14(9-20)7-15(6-13)10-20)11-27-19(26)16-1-3-17(4-2-16)24-12-21-22-23-24/h1-4,12-15H,5-11H2