3-[3,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]phenyl]-3-methyl-butanoic acid

Systemtic Name: 3-[3,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]phenyl]-3-methyl-butanoic acid Openeye Name: 3-[2-[3-(tert-butoxycarbonylamino)propanoyloxy]-3,6-dimethyl-phenyl]-3-methyl-butanoic acid CAS Name: 3-[3,6-dimethyl-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]phenyl]-3-methylbutanoic acid IUPAC Name: 3-[3,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]phenyl]-3-methylbutanoic acid Traditional Name: 3-[2-[3-(tert-butoxycarbonylamino)propanoyloxy]-3,6-dimethyl-phenyl]-3-methyl-butyric acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO6/c1-13-8-9-14(2)18(17(13)21(6,7)12-15(23)24)27-16(25)10-11-22-19(26)28-20(3,4)5/h8-9H,10-12H2,1-7H3,(H,22,26)(H,23,24)