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

Systemtic Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3,3-bis(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3,3-bis(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C42H52N2O2 MolecularWeight: 616.87448

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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(N(C6=CC=CC=C65)CCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

InChI

InChI=1S/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3