3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(2-methyl-1-octadecan-9-yl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(2-methyl-1-octadecan-9-yl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-[2-methyl-1-(1-octyldecyl)indol-3-yl]isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(2-methyl-1-octadecan-9-yl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(2-methyl-1-octadecan-9-ylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-[2-methyl-1-(1-octyldecyl)indol-3-yl]phthalide Formula: C47H66N2O3 MolecularWeight: 707.03854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)N1C(=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

CCCCCCCCCC(CCCCCCCC)N1C(=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/C47H66N2O3/c1-7-12-14-16-18-20-22-28-37(27-21-19-17-15-13-8-2)49-36(6)45(40-30-24-26-32-43(40)49)47(41-31-25-23-29-39(41)46(50)52-47)42-34-33-38(48(9-3)10-4)35-44(42)51-11-5/h23-26,29-35,37H,7-22,27-28H2,1-6H3