3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)-2-methyl-phenyl]-2-benzofuran-1-one

Systemtic Name: 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)-2-methyl-phenyl]-2-benzofuran-1-one Openeye Name: 3-[4-(dimethylamino)-2-methyl-phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)isobenzofuran-1-one CAS Name: 3-[4-(dimethylamino)-2-methylphenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-1-isobenzofuranone IUPAC Name: 3-[4-(dimethylamino)-2-methylphenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one Traditional Name: 3-[4-(dimethylamino)-2-methyl-phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)phthalide Formula: C45H58N2O2 MolecularWeight: 658.95422

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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(C=C(C=C5)N(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C45H58N2O2/c1-6-8-10-12-14-16-20-36-24-28-38(29-25-36)47(39-30-26-37(27-31-39)21-17-15-13-11-9-7-2)45(42-33-32-40(46(4)5)34-35(42)3)43-23-19-18-22-41(43)44(48)49-45/h18-19,22-34H,6-17,20-21H2,1-5H3