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

Systemtic Name: [(2S)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-yl-propan-2-yl] 4-fluoranylbenzoate Openeye Name: [(1S)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholino-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic 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-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(1S)-1-[2-(1-adamantyl)ethoxymethyl]-2-morpholino-ethyl] ester Formula: C26H36FNO4 MolecularWeight: 445.566743

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(COCCC23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1C[C@@H](COCCC23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H36FNO4/c27-23-3-1-22(2-4-23)25(29)32-24(17-28-6-9-30-10-7-28)18-31-8-5-26-14-19-11-20(15-26)13-21(12-19)16-26/h1-4,19-21,24H,5-18H2/t19?,20?,21?,24-,26?/m0/s1