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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C2=CC=CC=C2N1C)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C2=CC=CC=C2N1C)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)C)CCCCCCCC

InChI

InChI=1S/C42H52N2O2/c1-5-7-9-11-13-15-29-37-39(32-24-18-21-27-35(32)43(37)3)42(34-26-20-17-23-31(34)41(45)46-42)40-33-25-19-22-28-36(33)44(4)38(40)30-16-14-12-10-8-6-2/h17-28H,5-16,29-30H2,1-4H3