[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxidanyl-ethyl]phenyl] benzoate

Systemtic Name: [4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxidanyl-ethyl]phenyl] benzoate Openeye Name: [4-[2-[tert-butoxycarbonyl(methyl)amino]-1-hydroxy-ethyl]phenyl] benzoate CAS Name: benzoic acid [4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[tert-butoxycarbonyl(methyl)amino]-1-hydroxy-ethyl]phenyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22(4)14-18(23)15-10-12-17(13-11-15)26-19(24)16-8-6-5-7-9-16/h5-13,18,23H,14H2,1-4H3