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

Systemtic Name: 3-[4-(diethylamino)-2-(1-methoxypropoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-(1-methoxypropoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-(1-methoxypropoxy)phenyl]-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-(1-methoxypropoxy)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-(1-methoxypropoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C39H50N2O4 MolecularWeight: 610.8253

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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)OC(CC)OC)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)OC(CC)OC)C

InChI

InChI=1S/C39H50N2O4/c1-7-11-12-13-14-19-26-41-28(5)37(31-21-16-18-23-34(31)41)39(32-22-17-15-20-30(32)38(42)45-39)33-25-24-29(40(9-3)10-4)27-35(33)44-36(8-2)43-6/h15-18,20-25,27,36H,7-14,19,26H2,1-6H3