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

Systemtic Name: [1-(2-methyl-1-octyl-indol-3-yl)-3-oxidanylidene-2-benzofuran-1-yl] ethanoate Openeye Name: [1-(2-methyl-1-octyl-indol-3-yl)-3-oxo-isobenzofuran-1-yl] acetate CAS Name: acetic acid [1-(2-methyl-1-octyl-3-indolyl)-3-oxo-1-isobenzofuranyl] ester IUPAC Name: [1-(2-methyl-1-octylindol-3-yl)-3-oxo-2-benzofuran-1-yl] acetate Traditional Name: acetic acid [3-keto-1-(2-methyl-1-octyl-indol-3-yl)phthalan-1-yl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)OC(=O)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)OC(=O)C)C

InChI

InChI=1S/C27H31NO4/c1-4-5-6-7-8-13-18-28-19(2)25(22-15-10-12-17-24(22)28)27(31-20(3)29)23-16-11-9-14-21(23)26(30)32-27/h9-12,14-17H,4-8,13,18H2,1-3H3