[6-methyl-1-(2-methyl-1-octyl-indol-3-yl)-3-oxidanylidene-2-benzofuran-1-yl] ethanoate

Systemtic Name: [6-methyl-1-(2-methyl-1-octyl-indol-3-yl)-3-oxidanylidene-2-benzofuran-1-yl] ethanoate Openeye Name: [6-methyl-1-(2-methyl-1-octyl-indol-3-yl)-3-oxo-isobenzofuran-1-yl] acetate CAS Name: acetic acid [6-methyl-1-(2-methyl-1-octyl-3-indolyl)-3-oxo-1-isobenzofuranyl] ester IUPAC Name: [6-methyl-1-(2-methyl-1-octylindol-3-yl)-3-oxo-2-benzofuran-1-yl] acetate Traditional Name: acetic acid [3-keto-6-methyl-1-(2-methyl-1-octyl-indol-3-yl)phthalan-1-yl] ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=CC(=C4)C)C(=O)O3)OC(=O)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=CC(=C4)C)C(=O)O3)OC(=O)C)C

InChI

InChI=1S/C28H33NO4/c1-5-6-7-8-9-12-17-29-20(3)26(23-13-10-11-14-25(23)29)28(32-21(4)30)24-18-19(2)15-16-22(24)27(31)33-28/h10-11,13-16,18H,5-9,12,17H2,1-4H3