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

Systemtic Name: [(2S)-1-(4-tert-butylphenoxy)-3-piperidin-1-yl-propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-(1-piperidyl)ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2S)-1-(4-tert-butylphenoxy)-3-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenoxy)-3-piperidin-1-ylpropan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-piperidino-ethyl] ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCCCC2)OC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CN2CCCCC2)OC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H37NO5/c1-27(2,3)21-10-12-22(13-11-21)32-19-23(18-28-15-7-6-8-16-28)33-26(29)20-9-14-24(30-4)25(17-20)31-5/h9-14,17,23H,6-8,15-16,18-19H2,1-5H3/t23-/m0/s1