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

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoate CAS Name: 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[3-[(2-hydroxyethylamino)-oxomethyl]phenyl]methylamino]-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'-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Traditional Name: 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoic acid [(3aS,4R,7aR)-6-[[3-(2-hydroxyethylcarbamoyl)benzyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C41H42N2O8 MolecularWeight: 690.78078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(O2)CC1C=CC3=CC(=CC=C3)C(=O)OC4CC(=CC5C4OC6(O5)CC7=CC=CC=C7C6)C(=O)NCC8=CC=CC(=C8)C(=O)NCCO

Isomeric SMILES

C1CC2C(O2)CC1C=CC3=CC(=CC=C3)C(=O)O[C@@H]4CC(=C[C@@H]5[C@H]4OC6(O5)CC7=CC=CC=C7C6)C(=O)NCC8=CC=CC(=C8)C(=O)NCCO

InChI

InChI=1S/C41H42N2O8/c44-16-15-42-38(45)28-9-4-6-27(18-28)24-43-39(46)32-20-35(37-36(21-32)50-41(51-37)22-30-7-1-2-8-31(30)23-41)49-40(47)29-10-3-5-25(17-29)11-12-26-13-14-33-34(19-26)48-33/h1-12,17-18,21,26,33-37,44H,13-16,19-20,22-24H2,(H,42,45)(H,43,46)/t26?,33?,34?,35-,36-,37+/m1/s1