3-[4-(diethylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-phenyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[4-(diethylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-phenyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-phenyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-phenyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-phenylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-phenyl-indol-3-yl)phthalide Formula: C39H42N2O4 MolecularWeight: 602.76178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4(C5=CC=CC=C5C(=O)O4)C6=C(C=C(C=C6)N(CC)CC)OCCCOCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4(C5=CC=CC=C5C(=O)O4)C6=C(C=C(C=C6)N(CC)CC)OCCCOCC

InChI

InChI=1S/C39H42N2O4/c1-5-40(6-2)29-23-24-33(35(27-29)44-26-16-25-43-8-4)39(32-21-14-12-19-30(32)38(42)45-39)36-31-20-13-15-22-34(31)41(7-3)37(36)28-17-10-9-11-18-28/h9-15,17-24,27H,5-8,16,25-26H2,1-4H3