[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H31NO4/c1-15(2)24-20(25)13-28-21(26)23-11-16-8-17(12-23)10-22(9-16,14-23)18-4-6-19(27-3)7-5-18/h4-7,15-17H,8-14H2,1-3H3,(H,24,25)