3-[4-(diethylamino)-2-(2-methoxy-2-phenoxy-ethoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[4-(diethylamino)-2-(2-methoxy-2-phenoxy-ethoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-(2-methoxy-2-phenoxy-ethoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-(2-methoxy-2-phenoxyethoxy)phenyl]-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-(2-methoxy-2-phenoxyethoxy)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-(2-methoxy-2-phenoxy-ethoxy)phenyl]-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C44H52N2O5 MolecularWeight: 688.89408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC(OC)OC6=CC=CC=C6)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC(OC)OC6=CC=CC=C6)C

InChI

InChI=1S/C44H52N2O5/c1-6-9-10-11-12-20-29-46-32(4)42(36-24-17-19-26-39(36)46)44(37-25-18-16-23-35(37)43(47)51-44)38-28-27-33(45(7-2)8-3)30-40(38)49-31-41(48-5)50-34-21-14-13-15-22-34/h13-19,21-28,30,41H,6-12,20,29,31H2,1-5H3