1-adamantylmethyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: 1-adamantylmethyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: 1-adamantylmethyl 4-(1-methyltetrazol-5-yl)benzoate CAS Name: 4-(1-methyl-5-tetrazolyl)benzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-(1-methyltetrazol-5-yl)benzoate Traditional Name: 4-(1-methyltetrazol-5-yl)benzoic acid 1-adamantylmethyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=CC=C(C=C2)C(=O)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NN=N1)C2=CC=C(C=C2)C(=O)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24N4O2/c1-24-18(21-22-23-24)16-2-4-17(5-3-16)19(25)26-12-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3