ethyl 4-[2-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonyloxy]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonyloxy]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(3,4-dimethylphenyl)-1-adamantyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H38N2O5 MolecularWeight: 482.61172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C28H38N2O5/c1-4-34-26(33)30-9-7-29(8-10-30)24(31)17-35-25(32)28-15-21-12-22(16-28)14-27(13-21,18-28)23-6-5-19(2)20(3)11-23/h5-6,11,21-22H,4,7-10,12-18H2,1-3H3