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

Systemtic Name: [3,5-dimethyl-2-(2-methyl-4-oxidanylidene-butan-2-yl)phenyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(1,1-dimethyl-3-oxo-propyl)-3,5-dimethyl-phenyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [3,5-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenyl] ester IUPAC Name: [3,5-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(3-keto-1,1-dimethyl-propyl)-3,5-dimethyl-phenyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/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/h11-13H,8-10H2,1-7H3,(H,22,25)