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

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] 4-methylbenzoate; methanesulfonate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] 4-methylbenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-hydroxyphenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxyphenyl] 4-methylbenzoate; methanesulfonate Traditional Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] ester mesylate Formula: C21H26NO7S- MolecularWeight: 436.49864

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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)O.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)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H23NO4.CH4O3S/c1-13-5-7-14(8-6-13)19(24)25-18-10-9-15(11-16(18)22)17(23)12-21-20(2,3)4;1-5(2,3)4/h5-11,21-22H,12H2,1-4H3;1H3,(H,2,3,4)/p-1