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

Systemtic Name: 3-[4-(diethylamino)-2-(2-phenoxyethoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-(2-phenoxyethoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-(2-phenoxyethoxy)phenyl]-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-(2-phenoxyethoxy)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-(2-phenoxyethoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C43H50N2O4 MolecularWeight: 658.8681

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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)N(CC)CC)OCCOC6=CC=CC=C6)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCCOC6=CC=CC=C6)C

InChI

InChI=1S/C43H50N2O4/c1-5-8-9-10-11-19-28-45-32(4)41(36-23-16-18-25-39(36)45)43(37-24-17-15-22-35(37)42(46)49-43)38-27-26-33(44(6-2)7-3)31-40(38)48-30-29-47-34-20-13-12-14-21-34/h12-18,20-27,31H,5-11,19,28-30H2,1-4H3