3-[4-[2-(diethylamino)phenyl]-2-ethoxy-phenyl]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[4-[2-(diethylamino)phenyl]-2-ethoxy-phenyl]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-[2-(diethylamino)phenyl]-2-ethoxy-phenyl]-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-[2-(diethylamino)phenyl]-2-ethoxyphenyl]-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-[2-(diethylamino)phenyl]-2-ethoxyphenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-[2-(diethylamino)phenyl]-2-ethoxy-phenyl]-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C43H50N2O3 MolecularWeight: 642.8687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)C6=CC=CC=C6N(CC)CC)OCC)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)C6=CC=CC=C6N(CC)CC)OCC)C

InChI

InChI=1S/C43H50N2O3/c1-6-10-11-12-13-20-29-45-31(5)41(35-23-16-19-26-39(35)45)43(36-24-17-14-22-34(36)42(46)48-43)37-28-27-32(30-40(37)47-9-4)33-21-15-18-25-38(33)44(7-2)8-3/h14-19,21-28,30H,6-13,20,29H2,1-5H3