[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)N=N1

InChI

InChI=1S/C22H28N4O3/c1-2-26-19-4-3-17(8-18(19)24-25-26)21(28)29-12-20(27)23-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16H,2,5-7,9-13H2,1H3,(H,23,27)