3-[bis(4-octylphenyl)amino]-3-(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[bis(4-octylphenyl)amino]-3-(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-(4-octyl-N-(4-octylphenyl)anilino)isobenzofuran-1-one CAS Name: 3-(1-butyl-2-methyl-3-indolyl)-3-(4-octyl-N-(4-octylphenyl)anilino)-1-isobenzofuranone IUPAC Name: 3-(1-butyl-2-methylindol-3-yl)-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one Traditional Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-(4-octyl-N-(4-octylphenyl)anilino)phthalide Formula: C49H62N2O2 MolecularWeight: 711.02878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C

InChI

InChI=1S/C49H62N2O2/c1-5-8-11-13-15-17-23-39-29-33-41(34-30-39)51(42-35-31-40(32-36-42)24-18-16-14-12-9-6-2)49(45-27-21-19-25-43(45)48(52)53-49)47-38(4)50(37-10-7-3)46-28-22-20-26-44(46)47/h19-22,25-36H,5-18,23-24,37H2,1-4H3