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

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] benzoate; methanesulfonate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] benzoate; methanesulfonate CAS Name: benzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-hydroxyphenyl] ester; methanesulfonate IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxyphenyl] benzoate; methanesulfonate Traditional Name: benzoic acid [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] ester mesylate Formula: C20H24NO7S- MolecularWeight: 422.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4.CH4O3S/c1-19(2,3)20-12-16(22)14-9-10-17(15(21)11-14)24-18(23)13-7-5-4-6-8-13;1-5(2,3)4/h4-11,20-21H,12H2,1-3H3;1H3,(H,2,3,4)/p-1