[3,5-dimethyl-2-(2-methyl-4-oxidanyl-butan-2-yl)phenyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [3,5-dimethyl-2-(2-methyl-4-oxidanyl-butan-2-yl)phenyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(3-hydroxy-1,1-dimethyl-propyl)-3,5-dimethyl-phenyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(4-hydroxy-2-methylbutan-2-yl)-3,5-dimethylphenyl] ester IUPAC Name: [2-(4-hydroxy-2-methylbutan-2-yl)-3,5-dimethylphenyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(3-hydroxy-1,1-dimethyl-propyl)-3,5-dimethyl-phenyl] ester Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)CCNC(=O)OC(C)(C)C)C(C)(C)CCO)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)CCNC(=O)OC(C)(C)C)C(C)(C)CCO)C

InChI

InChI=1S/C21H33NO5/c1-14-12-15(2)18(21(6,7)9-11-23)16(13-14)26-17(24)8-10-22-19(25)27-20(3,4)5/h12-13,23H,8-11H2,1-7H3,(H,22,25)