[(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] 2-[2-(2-hydroxyethyloxy)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] 2-[2-(2-hydroxyethyloxy)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] 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)-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] 2-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 2-[2-(2-hydroxyethoxy)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: C37H38N2O9 MolecularWeight: 654.70562

Click to see the large picture

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=CC=C6C=COCCO

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=CC=C6C=COCCO

InChI

InChI=1S/C37H38N2O9/c40-14-13-38-34(42)26-10-5-6-24(18-26)23-39-35(43)29-19-31(46-36(44)30-11-4-3-7-25(30)12-16-45-17-15-41)33-32(20-29)47-37(48-33)21-27-8-1-2-9-28(27)22-37/h1-12,16,18,20,31-33,40-41H,13-15,17,19,21-23H2,(H,38,42)(H,39,43)/t31-,32-,33+/m1/s1