[2-acetyloxy-5-[2-(tert-butylamino)ethanoyl]phenyl] 4-methoxybenzoate; methanesulfonate

Systemtic Name: [2-acetyloxy-5-[2-(tert-butylamino)ethanoyl]phenyl] 4-methoxybenzoate; methanesulfonate Openeye Name: [2-acetoxy-5-[2-(tert-butylamino)acetyl]phenyl] 4-methoxybenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methoxybenzoic acid [2-acetyloxy-5-[2-(tert-butylamino)-1-oxoethyl]phenyl] ester IUPAC Name: [2-acetyloxy-5-[2-(tert-butylamino)acetyl]phenyl] 4-methoxybenzoate; methanesulfonate Traditional Name: 4-methoxybenzoic acid [2-acetoxy-5-[2-(tert-butylamino)acetyl]phenyl] ester mesylate Formula: C23H28NO9S- MolecularWeight: 494.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)OC(=O)C2=CC=C(C=C2)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)OC(=O)C2=CC=C(C=C2)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H25NO6.CH4O3S/c1-14(24)28-19-11-8-16(18(25)13-23-22(2,3)4)12-20(19)29-21(26)15-6-9-17(27-5)10-7-15;1-5(2,3)4/h6-12,23H,13H2,1-5H3;1H3,(H,2,3,4)/p-1