[(3'aS,4'R,7'aR)-6'-(2-hydroxyethylcarbamoyl)spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-(2-hydroxyethylcarbamoyl)spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoate CAS Name: 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[(2-hydroxyethylamino)-oxomethyl]-4'-spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]yl] ester IUPAC Name: [(3'aS,4'R,7'aR)-6'-(2-hydroxyethylcarbamoyl)spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Traditional Name: 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoic acid [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C33H35NO7 MolecularWeight: 557.6335

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(O2)CC1C=CC3=CC=CC=C3C(=O)OC4CC(=CC5C4OC6(O5)CC7=CC=CC=C7C6)C(=O)NCCO

Isomeric SMILES

C1CC2C(O2)CC1C=CC3=CC=CC=C3C(=O)O[C@@H]4CC(=C[C@@H]5[C@H]4OC6(O5)CC7=CC=CC=C7C6)C(=O)NCCO

InChI

InChI=1S/C33H35NO7/c35-14-13-34-31(36)24-16-28(30-29(17-24)40-33(41-30)18-22-6-1-2-7-23(22)19-33)39-32(37)25-8-4-3-5-21(25)11-9-20-10-12-26-27(15-20)38-26/h1-9,11,17,20,26-30,35H,10,12-16,18-19H2,(H,34,36)/t20?,26?,27?,28-,29-,30+/m1/s1