3-[(4-ethoxyphenyl)-phenyl-amino]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[(4-ethoxyphenyl)-phenyl-amino]-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-(N-(4-ethoxyphenyl)anilino)-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-(N-(4-ethoxyphenyl)anilino)-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-(N-(4-ethoxyphenyl)anilino)-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-(2-methyl-1-octyl-indol-3-yl)-3-(N-p-phenetylanilino)phthalide Formula: C39H42N2O3 MolecularWeight: 586.76238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H42N2O3/c1-4-6-7-8-9-17-28-40-29(3)37(34-21-14-16-23-36(34)40)39(35-22-15-13-20-33(35)38(42)44-39)41(30-18-11-10-12-19-30)31-24-26-32(27-25-31)43-5-2/h10-16,18-27H,4-9,17,28H2,1-3H3