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

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] 4-methoxybenzoate; methanesulfonate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] 4-methoxybenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methoxybenzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-hydroxyphenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxyphenyl] 4-methoxybenzoate; methanesulfonate Traditional Name: 4-methoxybenzoic acid [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] ester mesylate Formula: C21H26NO8S- MolecularWeight: 452.49804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5.CH4O3S/c1-20(2,3)21-12-17(23)14-7-10-18(16(22)11-14)26-19(24)13-5-8-15(25-4)9-6-13;1-5(2,3)4/h5-11,21-22H,12H2,1-4H3;1H3,(H,2,3,4)/p-1