3-(4-butyl-2-methyl-1H-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-(4-butyl-2-methyl-1H-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-(4-butyl-2-methyl-1H-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-(4-butyl-2-methyl-1H-indol-3-yl)-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-(4-butyl-2-methyl-1H-indol-3-yl)-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-(4-butyl-2-methyl-1H-indol-3-yl)-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C38H44N2O2 MolecularWeight: 560.76816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(NC6=CC=CC(=C65)CCCC)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(NC6=CC=CC(=C65)CCCC)C)C

InChI

InChI=1S/C38H44N2O2/c1-5-7-9-10-11-16-25-40-27(4)36(30-21-13-15-24-33(30)40)38(31-22-14-12-20-29(31)37(41)42-38)35-26(3)39-32-23-17-19-28(34(32)35)18-8-6-2/h12-15,17,19-24,39H,5-11,16,18,25H2,1-4H3