[5-[2-(tert-butylamino)ethanoyl]-2-(phenylcarbonyloxy)phenyl] 4-methylbenzoate; methanesulfonate

Systemtic Name: [5-[2-(tert-butylamino)ethanoyl]-2-(phenylcarbonyloxy)phenyl] 4-methylbenzoate; methanesulfonate Openeye Name: [2-benzoyloxy-5-[2-(tert-butylamino)acetyl]phenyl] 4-methylbenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methylbenzoic acid [2-benzoyloxy-5-[2-(tert-butylamino)-1-oxoethyl]phenyl] ester IUPAC Name: [2-benzoyloxy-5-[2-(tert-butylamino)acetyl]phenyl] 4-methylbenzoate; methanesulfonate Traditional Name: 4-methylbenzoic acid [2-benzoyloxy-5-[2-(tert-butylamino)acetyl]phenyl] ester mesylate Formula: C28H30NO8S- MolecularWeight: 540.6047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C27H27NO5.CH4O3S/c1-18-10-12-20(13-11-18)26(31)33-24-16-21(22(29)17-28-27(2,3)4)14-15-23(24)32-25(30)19-8-6-5-7-9-19;1-5(2,3)4/h5-16,28H,17H2,1-4H3;1H3,(H,2,3,4)/p-1