[(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] 4-[3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]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] 4-[3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]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] 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)-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] 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-hydroxyethylcarbamoyl)benzyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C38H39N3O8 MolecularWeight: 665.73156

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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)NCC6=CC=CC(=C6)C(=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)NCC6=CC=CC(=C6)C(=O)NCCO

InChI

InChI=1S/C38H39N3O8/c1-41(2)33(43)15-12-24-10-13-26(14-11-24)37(46)47-31-19-30(36(45)40-23-25-6-5-9-27(18-25)35(44)39-16-17-42)20-32-34(31)49-38(48-32)21-28-7-3-4-8-29(28)22-38/h3-15,18,20,31-32,34,42H,16-17,19,21-23H2,1-2H3,(H,39,44)(H,40,45)/t31-,32-,34+/m1/s1