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

Systemtic Name: 3-(2-methyl-1-octyl-indol-3-yl)-3-[(2-methyl-1-octyl-indol-3-yl)methyl]-2-benzofuran-1-one Openeye Name: 3-(2-methyl-1-octyl-indol-3-yl)-3-[(2-methyl-1-octyl-indol-3-yl)methyl]isobenzofuran-1-one CAS Name: 3-(2-methyl-1-octyl-3-indolyl)-3-[(2-methyl-1-octyl-3-indolyl)methyl]-1-isobenzofuranone IUPAC Name: 3-(2-methyl-1-octylindol-3-yl)-3-[(2-methyl-1-octylindol-3-yl)methyl]-2-benzofuran-1-one Traditional Name: 3-(2-methyl-1-octyl-indol-3-yl)-3-[(2-methyl-1-octyl-indol-3-yl)methyl]phthalide Formula: C43H54N2O2 MolecularWeight: 630.90106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)CC3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)CC3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C

InChI

InChI=1S/C43H54N2O2/c1-5-7-9-11-13-21-29-44-32(3)37(34-23-16-19-27-39(34)44)31-43(38-26-18-15-24-35(38)42(46)47-43)41-33(4)45(30-22-14-12-10-8-6-2)40-28-20-17-25-36(40)41/h15-20,23-28H,5-14,21-22,29-31H2,1-4H3