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

Systemtic Name: [4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate; methanesulfonate Openeye Name: [4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate; methanesulfonate Traditional Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-p-toluoyloxy-phenyl] ester mesylate Formula: C29H34NO8S- MolecularWeight: 556.64716

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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)O)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)O)OC(=O)C3=CC=C(C=C3)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C28H31NO5.CH4O3S/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)/p-1