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

Systemtic Name: 3-(diphenylamino)-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-(2-methyl-1-octyl-indol-3-yl)-3-(N-phenylanilino)isobenzofuran-1-one CAS Name: 3-(2-methyl-1-octyl-3-indolyl)-3-(N-phenylanilino)-1-isobenzofuranone IUPAC Name: 3-(2-methyl-1-octylindol-3-yl)-3-(N-phenylanilino)-2-benzofuran-1-one Traditional Name: 3-(2-methyl-1-octyl-indol-3-yl)-3-(N-phenylanilino)phthalide Formula: C37H38N2O2 MolecularWeight: 542.70982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H38N2O2/c1-3-4-5-6-7-18-27-38-28(2)35(32-24-15-17-26-34(32)38)37(33-25-16-14-23-31(33)36(40)41-37)39(29-19-10-8-11-20-29)30-21-12-9-13-22-30/h8-17,19-26H,3-7,18,27H2,1-2H3