[4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-oxidanyl-phenyl] 4-methoxybenzoate hydrochloride

Systemtic Name: [4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-oxidanyl-phenyl] 4-methoxybenzoate hydrochloride Openeye Name: [4-[1-acetoxy-2-(tert-butylamino)ethyl]-2-hydroxy-phenyl] 4-methoxybenzoate hydrochloride CAS Name: 4-methoxybenzoic acid [4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-hydroxyphenyl] ester hydrochloride IUPAC Name: [4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-hydroxyphenyl] 4-methoxybenzoate hydrochloride Traditional Name: 4-methoxybenzoic acid [4-[1-acetoxy-2-(tert-butylamino)ethyl]-2-hydroxy-phenyl] ester hydrochloride Formula: C22H28ClNO6 MolecularWeight: 437.91382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CNC(C)(C)C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)O.Cl

Isomeric SMILES

CC(=O)OC(CNC(C)(C)C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)O.Cl

InChI

InChI=1S/C22H27NO6.ClH/c1-14(24)28-20(13-23-22(2,3)4)16-8-11-19(18(25)12-16)29-21(26)15-6-9-17(27-5)10-7-15;/h6-12,20,23,25H,13H2,1-5H3;1H