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

Systemtic Name: [2-acetyloxy-4-[2-(tert-butylamino)ethanoyl]phenyl] 4-methylbenzoate; methanesulfonate Openeye Name: [2-acetoxy-4-[2-(tert-butylamino)acetyl]phenyl] 4-methylbenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methylbenzoic acid [2-acetyloxy-4-[2-(tert-butylamino)-1-oxoethyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[2-(tert-butylamino)acetyl]phenyl] 4-methylbenzoate; methanesulfonate Traditional Name: 4-methylbenzoic acid [2-acetoxy-4-[2-(tert-butylamino)acetyl]phenyl] ester mesylate Formula: C23H28NO8S- MolecularWeight: 478.53532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5.CH4O3S/c1-14-6-8-16(9-7-14)21(26)28-19-11-10-17(12-20(19)27-15(2)24)18(25)13-23-22(3,4)5;1-5(2,3)4/h6-12,23H,13H2,1-5H3;1H3,(H,2,3,4)/p-1