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

Systemtic Name: 3-[2,2-bis(1-butyl-2-phenyl-indol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Openeye Name: 3-[2,2-bis(1-butyl-2-phenyl-indol-3-yl)vinyl]-3-[4-(diethylamino)phenyl]isobenzofuran-1-one CAS Name: 3-[2,2-bis(1-butyl-2-phenyl-3-indolyl)ethenyl]-3-[4-(diethylamino)phenyl]-1-isobenzofuranone IUPAC Name: 3-[2,2-bis(1-butyl-2-phenylindol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Traditional Name: 3-[2,2-bis(1-butyl-2-phenyl-indol-3-yl)vinyl]-3-[4-(diethylamino)phenyl]phthalide Formula: C56H55N3O2 MolecularWeight: 802.0548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=CC4(C5=CC=CC=C5C(=O)O4)C6=CC=C(C=C6)N(CC)CC)C7=C(N(C8=CC=CC=C87)CCCC)C9=CC=CC=C9

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=CC4(C5=CC=CC=C5C(=O)O4)C6=CC=C(C=C6)N(CC)CC)C7=C(N(C8=CC=CC=C87)CCCC)C9=CC=CC=C9

InChI

InChI=1S/C56H55N3O2/c1-5-9-37-58-49-31-21-18-28-45(49)51(53(58)40-23-13-11-14-24-40)47(52-46-29-19-22-32-50(46)59(38-10-6-2)54(52)41-25-15-12-16-26-41)39-56(48-30-20-17-27-44(48)55(60)61-56)42-33-35-43(36-34-42)57(7-3)8-4/h11-36,39H,5-10,37-38H2,1-4H3