[(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] 4-[3-(dimethylamino)-3-oxidanylidene-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] 4-[3-(dimethylamino)-3-oxidanylidene-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] 4-[3-(dimethylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[3-(dimethylamino)-3-oxoprop-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] 4-[3-(dimethylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-(dimethylamino)-3-keto-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: C33H37N3O8 MolecularWeight: 603.66218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C=CC1=CC=C(C=C1)C(=O)OC2CC(=CC3C2OC4(O3)CC5=CC=CC=C5C4)C(=O)NCCC(=O)NCCO

Isomeric SMILES

CN(C)C(=O)C=CC1=CC=C(C=C1)C(=O)O[C@@H]2CC(=C[C@@H]3[C@H]2OC4(O3)CC5=CC=CC=C5C4)C(=O)NCCC(=O)NCCO

InChI

InChI=1S/C33H37N3O8/c1-36(2)29(39)12-9-21-7-10-22(11-8-21)32(41)42-26-17-25(31(40)35-14-13-28(38)34-15-16-37)18-27-30(26)44-33(43-27)19-23-5-3-4-6-24(23)20-33/h3-12,18,26-27,30,37H,13-17,19-20H2,1-2H3,(H,34,38)(H,35,40)/t26-,27-,30+/m1/s1