3-[2,2-bis(2-methyl-1-octyl-indol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one

Systemtic Name: 3-[2,2-bis(2-methyl-1-octyl-indol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Openeye Name: 3-[2,2-bis(2-methyl-1-octyl-indol-3-yl)vinyl]-3-[4-(diethylamino)phenyl]isobenzofuran-1-one CAS Name: 3-[2,2-bis(2-methyl-1-octyl-3-indolyl)ethenyl]-3-[4-(diethylamino)phenyl]-1-isobenzofuranone IUPAC Name: 3-[2,2-bis(2-methyl-1-octylindol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Traditional Name: 3-[2,2-bis(2-methyl-1-octyl-indol-3-yl)vinyl]-3-[4-(diethylamino)phenyl]phthalide Formula: C54H67N3O2 MolecularWeight: 790.12868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C(=CC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(CC)CC)C6=C(N(C7=CC=CC=C76)CCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C(=CC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(CC)CC)C6=C(N(C7=CC=CC=C76)CCCCCCCC)C)C

InChI

InChI=1S/C54H67N3O2/c1-7-11-13-15-17-25-37-56-40(5)51(45-28-20-23-31-49(45)56)47(52-41(6)57(38-26-18-16-14-12-8-2)50-32-24-21-29-46(50)52)39-54(48-30-22-19-27-44(48)53(58)59-54)42-33-35-43(36-34-42)55(9-3)10-4/h19-24,27-36,39H,7-18,25-26,37-38H2,1-6H3