3-[2,4-bis(dibutylamino)phenyl]-6-(dimethylamino)-3-(2-methoxyphenyl)-2-benzofuran-1-one

Systemtic Name: 3-[2,4-bis(dibutylamino)phenyl]-6-(dimethylamino)-3-(2-methoxyphenyl)-2-benzofuran-1-one Openeye Name: 3-[2,4-bis(dibutylamino)phenyl]-6-(dimethylamino)-3-(2-methoxyphenyl)isobenzofuran-1-one CAS Name: 3-[2,4-bis(dibutylamino)phenyl]-6-(dimethylamino)-3-(2-methoxyphenyl)-1-isobenzofuranone IUPAC Name: 3-[2,4-bis(dibutylamino)phenyl]-6-(dimethylamino)-3-(2-methoxyphenyl)-2-benzofuran-1-one Traditional Name: 3-[2,4-bis(dibutylamino)phenyl]-6-(dimethylamino)-3-(2-methoxyphenyl)phthalide Formula: C39H55N3O3 MolecularWeight: 613.8723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=CC=C4OC)N(CCCC)CCCC

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=CC=C4OC)N(CCCC)CCCC

InChI

InChI=1S/C39H55N3O3/c1-8-12-24-41(25-13-9-2)31-21-23-34(36(29-31)42(26-14-10-3)27-15-11-4)39(35-18-16-17-19-37(35)44-7)33-22-20-30(40(5)6)28-32(33)38(43)45-39/h16-23,28-29H,8-15,24-27H2,1-7H3