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

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] 2,2-dimethylpropanoate; methanesulfonate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] 2,2-dimethylpropanoate; methanesulfonate CAS Name: 2,2-dimethylpropanoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-hydroxyphenyl] ester; methanesulfonate IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxyphenyl] 2,2-dimethylpropanoate; methanesulfonate Traditional Name: 2,2-dimethylpropionic acid [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] ester mesylate Formula: C18H28NO7S- MolecularWeight: 402.48242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H25NO4.CH4O3S/c1-16(2,3)15(21)22-14-8-7-11(9-12(14)19)13(20)10-18-17(4,5)6;1-5(2,3)4/h7-9,18-19H,10H2,1-6H3;1H3,(H,2,3,4)/p-1