(E)-3-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]-2-ethyl-4-oxidanylidene-4-phenylmethoxy-but-2-enoic acid

Systemtic Name: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]-2-ethyl-4-oxidanylidene-4-phenylmethoxy-but-2-enoic acid Openeye Name: (E)-4-benzyloxy-2-ethyl-3-(4-isobutyl-2,2-dimethyl-oxazolidin-5-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-5-oxazolidinyl]-2-ethyl-4-oxo-4-phenylmethoxy-2-butenoic acid IUPAC Name: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]-2-ethyl-4-oxo-4-phenylmethoxybut-2-enoic acid Traditional Name: (E)-4-benzoxy-2-ethyl-3-(4-isobutyl-2,2-dimethyl-oxazolidin-5-yl)-4-keto-but-2-enoic acid Formula: C22H31NO5 MolecularWeight: 389.48524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1C(NC(O1)(C)C)CC(C)C)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC/C(=C(/C1C(NC(O1)(C)C)CC(C)C)\C(=O)OCC2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C22H31NO5/c1-6-16(20(24)25)18(21(26)27-13-15-10-8-7-9-11-15)19-17(12-14(2)3)23-22(4,5)28-19/h7-11,14,17,19,23H,6,12-13H2,1-5H3,(H,24,25)/b18-16+