3-[bis(4-octylphenyl)amino]-3-(4-dimethylaminophenyl)-2-benzofuran-1-one

Systemtic Name: 3-[bis(4-octylphenyl)amino]-3-(4-dimethylaminophenyl)-2-benzofuran-1-one Openeye Name: 3-(4-dimethylaminophenyl)-3-(4-octyl-N-(4-octylphenyl)anilino)isobenzofuran-1-one CAS Name: 3-(4-dimethylaminophenyl)-3-(4-octyl-N-(4-octylphenyl)anilino)-1-isobenzofuranone IUPAC Name: 3-(4-dimethylaminophenyl)-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one Traditional Name: 3-(4-dimethylaminophenyl)-3-(4-octyl-N-(4-octylphenyl)anilino)phthalide Formula: C44H56N2O2 MolecularWeight: 644.92764

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

Isomeric SMILES

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

InChI

InChI=1S/C44H56N2O2/c1-5-7-9-11-13-15-19-35-23-29-39(30-24-35)46(40-31-25-36(26-32-40)20-16-14-12-10-8-6-2)44(37-27-33-38(34-28-37)45(3)4)42-22-18-17-21-41(42)43(47)48-44/h17-18,21-34H,5-16,19-20H2,1-4H3