[(2S)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-yl-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2S)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-yl-propan-2-yl] 4-methoxybenzoate Openeye Name: [(1S)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholino-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-morpholinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholino-ethyl] ester Formula: C27H39NO5 MolecularWeight: 457.60226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC(CN2CCOCC2)COCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)O[C@@H](CN2CCOCC2)COCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39NO5/c1-30-24-4-2-23(3-5-24)26(29)33-25(18-28-7-10-31-11-8-28)19-32-9-6-27-15-20-12-21(16-27)14-22(13-20)17-27/h2-5,20-22,25H,6-19H2,1H3/t20?,21?,22?,25-,27?/m0/s1