[(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] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)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] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)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] 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)-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] 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-hydroxyethylamino)-3-keto-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C36H40N2O8 MolecularWeight: 628.7114

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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)NCCC(=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)NCCC(=O)NCCO

InChI

InChI=1S/C36H40N2O8/c39-15-14-37-32(40)12-13-38-34(41)27-18-30(33-31(19-27)45-36(46-33)20-25-5-1-2-6-26(25)21-36)44-35(42)24-7-3-4-22(16-24)8-9-23-10-11-28-29(17-23)43-28/h1-9,16,19,23,28-31,33,39H,10-15,17-18,20-21H2,(H,37,40)(H,38,41)/t23?,28?,29?,30-,31-,33+/m1/s1