(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C25H33NO5 MolecularWeight: 427.53322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H33NO5/c1-17(22(27)26-7-9-30-10-8-26)31-23(28)25-14-18-11-19(15-25)13-24(12-18,16-25)20-3-5-21(29-2)6-4-20/h3-6,17-19H,7-16H2,1-2H3