3,3-bis(2-methyl-4-octyl-1H-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis(2-methyl-4-octyl-1H-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3,3-bis(2-methyl-4-octyl-1H-indol-3-yl)isobenzofuran-1-one CAS Name: 3,3-bis(2-methyl-4-octyl-1H-indol-3-yl)-1-isobenzofuranone IUPAC Name: 3,3-bis(2-methyl-4-octyl-1H-indol-3-yl)-2-benzofuran-1-one Traditional Name: 3,3-bis(2-methyl-4-octyl-1H-indol-3-yl)phthalide Formula: C42H52N2O2 MolecularWeight: 616.87448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC=C1)NC(=C2C3(C4=CC=CC=C4C(=O)O3)C5=C(NC6=CC=CC(=C65)CCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCC1=C2C(=CC=C1)NC(=C2C3(C4=CC=CC=C4C(=O)O3)C5=C(NC6=CC=CC(=C65)CCCCCCCC)C)C

InChI

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