[1-(3-methylbutoxy)-3-morpholin-4-yl-propan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride

Systemtic Name: [1-(3-methylbutoxy)-3-morpholin-4-yl-propan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride Openeye Name: [1-(isopentyloxymethyl)-2-morpholino-ethyl] 3,4,5-trimethoxybenzoate hydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid [1-(3-methylbutoxy)-3-(4-morpholinyl)propan-2-yl] ester hydrochloride IUPAC Name: [1-(3-methylbutoxy)-3-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid [1-(isoamoxymethyl)-2-morpholino-ethyl] ester hydrochloride Formula: C22H36ClNO7 MolecularWeight: 461.97674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO7.ClH/c1-16(2)6-9-29-15-18(14-23-7-10-28-11-8-23)30-22(24)17-12-19(25-3)21(27-5)20(13-17)26-4;/h12-13,16,18H,6-11,14-15H2,1-5H3;1H