3,3-bis[butyl-(4-butylphenyl)amino]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[butyl-(4-butylphenyl)amino]-2-benzofuran-1-one Openeye Name: 3,3-bis(N,4-dibutylanilino)isobenzofuran-1-one CAS Name: 3,3-bis(N,4-dibutylanilino)-1-isobenzofuranone IUPAC Name: 3,3-bis(N,4-dibutylanilino)-2-benzofuran-1-one Traditional Name: 3,3-bis(N,4-dibutylanilino)phthalide Formula: C36H48N2O2 MolecularWeight: 540.77852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(CCCC)C2(C3=CC=CC=C3C(=O)O2)N(CCCC)C4=CC=C(C=C4)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(CCCC)C2(C3=CC=CC=C3C(=O)O2)N(CCCC)C4=CC=C(C=C4)CCCC

InChI

InChI=1S/C36H48N2O2/c1-5-9-15-29-19-23-31(24-20-29)37(27-11-7-3)36(34-18-14-13-17-33(34)35(39)40-36)38(28-12-8-4)32-25-21-30(22-26-32)16-10-6-2/h13-14,17-26H,5-12,15-16,27-28H2,1-4H3