[(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] 4-iodanylbenzoate

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] 4-iodanylbenzoate 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] 4-iodobenzoate CAS Name: 4-iodobenzoic 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] 4-iodobenzoate Traditional Name: 4-iodobenzoic 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: C33H31IN2O7 MolecularWeight: 694.51291

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(C=C1C(=O)NCC3=CC=CC(=C3)C(=O)NCCO)OC4(O2)CC5=CC=CC=C5C4)OC(=O)C6=CC=C(C=C6)I

Isomeric SMILES

C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCC3=CC=CC(=C3)C(=O)NCCO)OC4(O2)CC5=CC=CC=C5C4)OC(=O)C6=CC=C(C=C6)I

InChI

InChI=1S/C33H31IN2O7/c34-26-10-8-21(9-11-26)32(40)41-27-15-25(31(39)36-19-20-4-3-7-22(14-20)30(38)35-12-13-37)16-28-29(27)43-33(42-28)17-23-5-1-2-6-24(23)18-33/h1-11,14,16,27-29,37H,12-13,15,17-19H2,(H,35,38)(H,36,39)/t27-,28-,29+/m1/s1