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

Systemtic Name: 3-[4-(diethylamino)-2-phenethyloxy-phenyl]-3-[1-ethyl-2-(3-methylbutyl)indol-3-yl]-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-phenethyloxy-phenyl]-3-(1-ethyl-2-isopentyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-phenethyloxyphenyl]-3-[1-ethyl-2-(3-methylbutyl)-3-indolyl]-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-phenethyloxyphenyl]-3-[1-ethyl-2-(3-methylbutyl)indol-3-yl]-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-phenethyloxy-phenyl]-3-(1-ethyl-2-isoamyl-indol-3-yl)phthalide Formula: C41H46N2O3 MolecularWeight: 614.81554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1CCC(C)C)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCCC6=CC=CC=C6

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1CCC(C)C)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCCC6=CC=CC=C6

InChI

InChI=1S/C41H46N2O3/c1-6-42(7-2)31-23-24-35(38(28-31)45-27-26-30-16-10-9-11-17-30)41(34-20-14-12-18-32(34)40(44)46-41)39-33-19-13-15-21-36(33)43(8-3)37(39)25-22-29(4)5/h9-21,23-24,28-29H,6-8,22,25-27H2,1-5H3