[(2S)-1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2S)-1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] ester Formula: C27H37NO7 MolecularWeight: 487.58518

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO7/c1-27(2,3)20-7-9-21(10-8-20)34-18-22(17-28-11-13-33-14-12-28)35-26(29)19-15-23(30-4)25(32-6)24(16-19)31-5/h7-10,15-16,22H,11-14,17-18H2,1-6H3/t22-/m0/s1