1-morpholin-4-ylpropan-2-yl 3,5-ditert-butylbenzoate hydrochloride

Systemtic Name: 1-morpholin-4-ylpropan-2-yl 3,5-ditert-butylbenzoate hydrochloride Openeye Name: (1-methyl-2-morpholino-ethyl) 3,5-ditert-butylbenzoate hydrochloride CAS Name: 3,5-ditert-butylbenzoic acid 1-(4-morpholinyl)propan-2-yl ester hydrochloride IUPAC Name: 1-morpholin-4-ylpropan-2-yl 3,5-ditert-butylbenzoate hydrochloride Traditional Name: 3,5-ditert-butylbenzoic acid (1-methyl-2-morpholino-ethyl) ester hydrochloride Formula: C22H36ClNO3 MolecularWeight: 397.97914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCOCC1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.Cl

Isomeric SMILES

CC(CN1CCOCC1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.Cl

InChI

InChI=1S/C22H35NO3.ClH/c1-16(15-23-8-10-25-11-9-23)26-20(24)17-12-18(21(2,3)4)14-19(13-17)22(5,6)7;/h12-14,16H,8-11,15H2,1-7H3;1H