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

Systemtic Name: 3-(2-methyl-1-octyl-indol-3-yl)-3H-2-benzofuran-1-one Openeye Name: 3-(2-methyl-1-octyl-indol-3-yl)-3H-isobenzofuran-1-one CAS Name: 3-(2-methyl-1-octyl-3-indolyl)-3H-isobenzofuran-1-one IUPAC Name: 3-(2-methyl-1-octylindol-3-yl)-3H-2-benzofuran-1-one Traditional Name: 3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C25H29NO2/c1-3-4-5-6-7-12-17-26-18(2)23(21-15-10-11-16-22(21)26)24-19-13-8-9-14-20(19)25(27)28-24/h8-11,13-16,24H,3-7,12,17H2,1-2H3