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

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-(2-methylphenyl)carbonyloxy-phenyl] 2-methylbenzoate; methanesulfonate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-(2-methylbenzoyl)oxy-phenyl] 2-methylbenzoate; methanesulfonate CAS Name: methanesulfonate; 2-methylbenzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-[(2-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-(2-methylbenzoyl)oxyphenyl] 2-methylbenzoate; methanesulfonate Traditional Name: 2-methylbenzoic acid [4-[2-(tert-butylamino)acetyl]-2-o-toluoyloxy-phenyl] ester mesylate Formula: C29H32NO8S- MolecularWeight: 554.63128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CC=CC=C3C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CC=CC=C3C.CS(=O)(=O)[O-]

InChI

InChI=1S/C28H29NO5.CH4O3S/c1-18-10-6-8-12-21(18)26(31)33-24-15-14-20(23(30)17-29-28(3,4)5)16-25(24)34-27(32)22-13-9-7-11-19(22)2;1-5(2,3)4/h6-16,29H,17H2,1-5H3;1H3,(H,2,3,4)/p-1