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

Systemtic Name: 3-[bis(4-octylphenyl)amino]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-(2-methyl-1H-indol-3-yl)-3-(4-octyl-N-(4-octylphenyl)anilino)isobenzofuran-1-one CAS Name: 3-(2-methyl-1H-indol-3-yl)-3-(4-octyl-N-(4-octylphenyl)anilino)-1-isobenzofuranone IUPAC Name: 3-(2-methyl-1H-indol-3-yl)-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one Traditional Name: 3-(2-methyl-1H-indol-3-yl)-3-(4-octyl-N-(4-octylphenyl)anilino)phthalide Formula: C45H54N2O2 MolecularWeight: 654.92246

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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(NC6=CC=CC=C65)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C3(C4=CC=CC=C4C(=O)O3)C5=C(NC6=CC=CC=C65)C

InChI

InChI=1S/C45H54N2O2/c1-4-6-8-10-12-14-20-35-26-30-37(31-27-35)47(38-32-28-36(29-33-38)21-15-13-11-9-7-5-2)45(41-24-18-16-22-39(41)44(48)49-45)43-34(3)46-42-25-19-17-23-40(42)43/h16-19,22-33,46H,4-15,20-21H2,1-3H3