[(2S)-1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2S)-1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 4-methoxybenzoate Openeye Name: [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S)-1-(4-tert-butylphenoxy)-3-(4-morpholinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenoxy)-3-morpholin-4-ylpropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCOCC2)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CN2CCOCC2)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33NO5/c1-25(2,3)20-7-11-22(12-8-20)30-18-23(17-26-13-15-29-16-14-26)31-24(27)19-5-9-21(28-4)10-6-19/h5-12,23H,13-18H2,1-4H3/t23-/m0/s1