methyl 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CON4C5=C(C=CC(=C5)C(=O)OC)N=N4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CON4C5=C(C=CC(=C5)C(=O)OC)N=N4

InChI

InChI=1S/C22H28N4O4/c1-13(22-9-14-5-15(10-22)7-16(6-14)11-22)23-20(27)12-30-26-19-8-17(21(28)29-2)3-4-18(19)24-25-26/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H,23,27)/t13-,14?,15?,16?,22?/m1/s1