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

Systemtic Name: [(2S)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-yl-propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1S)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholino-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1S)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholino-ethyl] ester Formula: C28H41NO6 MolecularWeight: 487.62824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO6/c1-31-25-4-3-23(14-26(25)32-2)27(30)35-24(18-29-6-9-33-10-7-29)19-34-8-5-28-15-20-11-21(16-28)13-22(12-20)17-28/h3-4,14,20-22,24H,5-13,15-19H2,1-2H3/t20?,21?,22?,24-,28?/m0/s1