(1S,3S,3aR,8bS)-3a-(4-chlorophenyl)-8-[2-(methylamino)ethoxy]-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol

Systemtic Name: (1S,3S,3aR,8bS)-3a-(4-chlorophenyl)-8-[2-(methylamino)ethoxy]-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol Openeye Name: (1S,3S,3aR,8bS)-3a-(4-chlorophenyl)-8-[2-(methylamino)ethoxy]-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-1,8b-diol CAS Name: (1S,3S,3aR,8bS)-3a-(4-chlorophenyl)-8-[2-(methylamino)ethoxy]-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-1,8b-diol IUPAC Name: (1S,3S,3aR,8bS)-3a-(4-chlorophenyl)-8-[2-(methylamino)ethoxy]-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol Traditional Name: (1S,3S,3aR,8bS)-3a-(4-chlorophenyl)-8-[2-(methylamino)ethoxy]-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-1,8b-diol Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CNCCOC1=CC=CC2=C1C3(C(CC(C3(O2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)O)O

Isomeric SMILES

CNCCOC1=CC=CC2=C1[C@@]3([C@H](C[C@H]([C@@]3(O2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)O)O

InChI

InChI=1S/C26H26ClNO4/c1-28-14-15-31-21-8-5-9-22-24(21)25(30)23(29)16-20(17-6-3-2-4-7-17)26(25,32-22)18-10-12-19(27)13-11-18/h2-13,20,23,28-30H,14-16H2,1H3/t20-,23-,25+,26-/m0/s1