[(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-[3-(2-hydroxyphenyl)prop-1-enyl]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-[3-(2-hydroxyphenyl)prop-1-enyl]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-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate CAS Name: 3-[3-(2-hydroxyphenyl)prop-1-enyl]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-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate Traditional Name: 3-[3-(2-hydroxyphenyl)prop-1-enyl]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: C37H38N2O8 MolecularWeight: 638.70622

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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(=C5)C=CCC6=CC=CC=C6O

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(=C5)C=CCC6=CC=CC=C6O

InChI

InChI=1S/C37H38N2O8/c40-18-17-38-33(42)15-16-39-35(43)29-20-31(34-32(21-29)46-37(47-34)22-27-10-1-2-11-28(27)23-37)45-36(44)26-13-6-8-24(19-26)7-5-12-25-9-3-4-14-30(25)41/h1-11,13-14,19,21,31-32,34,40-41H,12,15-18,20,22-23H2,(H,38,42)(H,39,43)/t31-,32-,34+/m1/s1