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

Systemtic Name: [(2S)-1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 2-chloranylbenzoate Openeye Name: [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(1S)-1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] ester Formula: C24H30ClNO4 MolecularWeight: 431.9523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCOCC2)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CN2CCOCC2)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H30ClNO4/c1-24(2,3)18-8-10-19(11-9-18)29-17-20(16-26-12-14-28-15-13-26)30-23(27)21-6-4-5-7-22(21)25/h4-11,20H,12-17H2,1-3H3/t20-/m0/s1