[4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] 3-methylbutanoate; methanesulfonate

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] 3-methylbutanoate; methanesulfonate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] 3-methylbutanoate; methanesulfonate CAS Name: methanesulfonate; 3-methylbutanoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-hydroxyphenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxyphenyl] 3-methylbutanoate; methanesulfonate Traditional Name: 3-methylbutyric 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)CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)O.CS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4.CH4O3S/c1-11(2)8-16(21)22-15-7-6-12(9-13(15)19)14(20)10-18-17(3,4)5;1-5(2,3)4/h6-7,9,11,18-19H,8,10H2,1-5H3;1H3,(H,2,3,4)/p-1