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

Systemtic Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(1-dodecyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(1-dodecyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-dodecyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-dodecyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(1-lauryl-2-methyl-indol-3-yl)phthalide Formula: C41H54N2O3 MolecularWeight: 622.87906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C

InChI

InChI=1S/C41H54N2O3/c1-6-10-11-12-13-14-15-16-17-22-29-43-31(5)39(34-24-19-21-26-37(34)43)41(35-25-20-18-23-33(35)40(44)46-41)36-28-27-32(42(7-2)8-3)30-38(36)45-9-4/h18-21,23-28,30H,6-17,22,29H2,1-5H3