3,3-bis[2-(2-methyl-1-octyl-indol-3-yl)ethyl]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2-(2-methyl-1-octyl-indol-3-yl)ethyl]-2-benzofuran-1-one Openeye Name: 3,3-bis[2-(2-methyl-1-octyl-indol-3-yl)ethyl]isobenzofuran-1-one CAS Name: 3,3-bis[2-(2-methyl-1-octyl-3-indolyl)ethyl]-1-isobenzofuranone IUPAC Name: 3,3-bis[2-(2-methyl-1-octylindol-3-yl)ethyl]-2-benzofuran-1-one Traditional Name: 3,3-bis[2-(2-methyl-1-octyl-indol-3-yl)ethyl]phthalide Formula: C46H60N2O2 MolecularWeight: 672.9808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)CCC3(C4=CC=CC=C4C(=O)O3)CCC5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)CCC3(C4=CC=CC=C4C(=O)O3)CCC5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

InChI

InChI=1S/C46H60N2O2/c1-5-7-9-11-13-21-33-47-35(3)37(39-23-16-19-27-43(39)47)29-31-46(42-26-18-15-25-41(42)45(49)50-46)32-30-38-36(4)48(34-22-14-12-10-8-6-2)44-28-20-17-24-40(38)44/h15-20,23-28H,5-14,21-22,29-34H2,1-4H3