diethyl 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-oxolan-3-yl]-1-phenyl-ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-oxolan-3-yl]-1-phenyl-ethyl]propanedioate Openeye Name: diethyl 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-tetrahydrofuran-3-yl]-1-phenyl-ethyl]propanedioate CAS Name: 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-3-oxolanyl]-1-phenylethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[(2S,3R)-5-ethoxy-2-hexyloxolan-3-yl]-1-phenylethyl]propanedioate Traditional Name: 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-tetrahydrofuran-3-yl]-1-phenyl-ethyl]malonic acid diethyl ester Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(CC(O1)OCC)CC(C2=CC=CC=C2)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCC[C@H]1[C@@H](CC(O1)OCC)CC(C2=CC=CC=C2)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C27H42O6/c1-5-9-10-14-17-23-21(19-24(33-23)30-6-2)18-22(20-15-12-11-13-16-20)25(26(28)31-7-3)27(29)32-8-4/h11-13,15-16,21-25H,5-10,14,17-19H2,1-4H3/t21-,22?,23+,24?/m1/s1