[4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate; methanesulfonate

Systemtic Name: [4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate; methanesulfonate Openeye Name: [4-[1-acetoxy-2-(tert-butylamino)ethyl]-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methylbenzoic acid [4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-[1-acetyloxy-2-(tert-butylamino)ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate; methanesulfonate Traditional Name: 4-methylbenzoic acid [4-[1-acetoxy-2-(tert-butylamino)ethyl]-2-p-toluoyloxy-phenyl] ester mesylate Formula: C31H36NO9S- MolecularWeight: 598.68384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)OC(=O)C)OC(=O)C3=CC=C(C=C3)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)OC(=O)C)OC(=O)C3=CC=C(C=C3)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C30H33NO6.CH4O3S/c1-19-7-11-22(12-8-19)28(33)36-25-16-15-24(27(35-21(3)32)18-31-30(4,5)6)17-26(25)37-29(34)23-13-9-20(2)10-14-23;1-5(2,3)4/h7-17,27,31H,18H2,1-6H3;1H3,(H,2,3,4)/p-1