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

Systemtic Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-[1-(2-ethylhexyl)-2-methyl-indol-3-yl]-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-[1-(2-ethylhexyl)-2-methyl-indol-3-yl]isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-[1-(2-ethylhexyl)-2-methyl-3-indolyl]-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-[1-(2-ethylhexyl)-2-methylindol-3-yl]-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-[1-(2-ethylhexyl)-2-methyl-indol-3-yl]phthalide Formula: C37H46N2O3 MolecularWeight: 566.77274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=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

CCCCC(CC)CN1C(=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/C37H46N2O3/c1-7-12-17-27(8-2)25-39-26(6)35(30-19-14-16-21-33(30)39)37(31-20-15-13-18-29(31)36(40)42-37)32-23-22-28(38(9-3)10-4)24-34(32)41-11-5/h13-16,18-24,27H,7-12,17,25H2,1-6H3