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

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[3-(2-hydroxyethylamino)-3-oxo-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 2-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 2-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[3-(2-hydroxyethylamino)-3-oxopropyl]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'-[[3-(2-hydroxyethylamino)-3-oxopropyl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 2-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-6-[[3-(2-hydroxyethylamino)-3-keto-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C32H36N2O9 MolecularWeight: 592.63624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(C=C1C(=O)NCCC(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC=CC=C5C=COCCO

Isomeric SMILES

C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCC(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC=CC=C5C=COCCO

InChI

InChI=1S/C32H36N2O9/c35-13-12-33-28(37)9-11-34-30(38)24-17-26(41-31(39)25-8-4-3-5-21(25)10-15-40-16-14-36)29-27(18-24)42-32(43-29)19-22-6-1-2-7-23(22)20-32/h1-8,10,15,18,26-27,29,35-36H,9,11-14,16-17,19-20H2,(H,33,37)(H,34,38)/t26-,27-,29+/m1/s1