[(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate CAS Name: 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[(2R,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-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'-[[(2R,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate Traditional Name: 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C38H40N2O9 MolecularWeight: 668.7322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCCO)NC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=CC=C3C=CCC4=CC=CC=C4O)OC5(O2)CC6=CC=CC=C6C5)O

Isomeric SMILES

C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CCC4=CC=CC=C4O)OC5(O2)CC6=CC=CC=C6C5)O

InChI

InChI=1S/C38H40N2O9/c1-23(42)33(36(45)39-17-18-41)40-35(44)28-19-31(34-32(20-28)48-38(49-34)21-26-11-2-3-12-27(26)22-38)47-37(46)29-15-6-4-9-24(29)13-8-14-25-10-5-7-16-30(25)43/h2-13,15-16,20,23,31-34,41-43H,14,17-19,21-22H2,1H3,(H,39,45)(H,40,44)/t23-,31+,32+,33+,34-/m0/s1