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

Systemtic Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C37H46N2O3 MolecularWeight: 566.77274

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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)OCC)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)OCC)C

InChI

InChI=1S/C37H46N2O3/c1-6-10-11-12-13-18-25-39-27(5)35(30-20-15-17-22-33(30)39)37(31-21-16-14-19-29(31)36(40)42-37)32-24-23-28(38(7-2)8-3)26-34(32)41-9-4/h14-17,19-24,26H,6-13,18,25H2,1-5H3