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

Systemtic Name: methyl 3-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-(1-adamantylamino)-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-(1-adamantylamino)-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1-adamantylamino)-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-(1-adamantylamino)-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24N4O4/c1-27-19(26)15-2-3-16-17(7-15)24(23-22-16)28-11-18(25)21-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,25)