methyl 3-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-(1-adamantylmethylamino)-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-(1-adamantylmethylamino)-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1-adamantylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-(1-adamantylmethylamino)-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4O4/c1-28-20(27)16-2-3-17-18(7-16)25(24-23-17)29-11-19(26)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,22,26)