2-(1-benzofuran-3-ylcarbonyl)-3-ethyl-octanoate

Systemtic Name: 2-(1-benzofuran-3-ylcarbonyl)-3-ethyl-octanoate Openeye Name: 2-(benzofuran-3-carbonyl)-3-ethyl-octanoate CAS Name: 2-[3-benzofuranyl(oxo)methyl]-3-ethyloctanoate IUPAC Name: 2-(1-benzofuran-3-carbonyl)-3-ethyloctanoate Traditional Name: 2-(benzofuran-3-carbonyl)-3-ethyl-caprylate Formula: C19H23O4- MolecularWeight: 315.38352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=COC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=COC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C19H24O4/c1-3-5-6-9-13(4-2)17(19(21)22)18(20)15-12-23-16-11-8-7-10-14(15)16/h7-8,10-13,17H,3-6,9H2,1-2H3,(H,21,22)/p-1