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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c27-19(22-12-21-8-14-5-15(9-21)7-16(6-14)10-21)11-29-20(28)17-1-3-18(4-2-17)26-13-23-24-25-26/h1-4,13-16H,5-12H2,(H,22,27)