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

Systemtic Name: [(2S)-1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] ester Formula: C26H35NO6 MolecularWeight: 457.5592

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO6/c1-26(2,3)20-7-9-21(10-8-20)32-18-22(17-27-12-14-31-15-13-27)33-25(28)19-6-11-23(29-4)24(16-19)30-5/h6-11,16,22H,12-15,17-18H2,1-5H3/t22-/m0/s1