[3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate

Systemtic Name: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate Openeye Name: [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-p-toluoyloxy-phenyl] ester Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-23-14-22(25(30)17-29-28(3,4)5)15-24(16-23)34-27(32)21-12-8-19(2)9-13-21/h6-16,25,29-30H,17H2,1-5H3