[(3'aS,4'R,7'aR)-6'-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethyloxy)ethenyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 4-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 4-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-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'-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 4-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-6-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C36H43NO10 MolecularWeight: 649.72732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CO)NC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=C(C=C3)C=COCCO)OC4(O2)CC5=CC=CC=C5C4

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)C=COCCO)OC4(O2)CC5=CC=CC=C5C4

InChI

InChI=1S/C36H43NO10/c1-35(2,3)46-31(40)13-12-28(22-39)37-33(41)27-18-29(44-34(42)24-10-8-23(9-11-24)14-16-43-17-15-38)32-30(19-27)45-36(47-32)20-25-6-4-5-7-26(25)21-36/h4-11,14,16,19,28-30,32,38-39H,12-13,15,17-18,20-22H2,1-3H3,(H,37,41)/t28-,29+,30+,32-/m0/s1