3-[3,4-bis(ethylamino)phenyl]-3-[bis(4-octylphenyl)amino]-2-benzofuran-1-one

Systemtic Name: 3-[3,4-bis(ethylamino)phenyl]-3-[bis(4-octylphenyl)amino]-2-benzofuran-1-one Openeye Name: 3-[3,4-bis(ethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)isobenzofuran-1-one CAS Name: 3-[3,4-bis(ethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-1-isobenzofuranone IUPAC Name: 3-[3,4-bis(ethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one Traditional Name: 3-[3,4-bis(ethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)phthalide Formula: C46H61N3O2 MolecularWeight: 687.99544

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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)NCC)NCC

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)NCC)NCC

InChI

InChI=1S/C46H61N3O2/c1-5-9-11-13-15-17-21-36-25-30-39(31-26-36)49(40-32-27-37(28-33-40)22-18-16-14-12-10-6-2)46(42-24-20-19-23-41(42)45(50)51-46)38-29-34-43(47-7-3)44(35-38)48-8-4/h19-20,23-35,47-48H,5-18,21-22H2,1-4H3