[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H20FNO4 MolecularWeight: 333.354103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H20FNO4/c1-12-13-7-6-8-14(19)17(13)24-16(12)18(22)23-11-15(21)20-9-4-2-3-5-10-20/h6-8H,2-5,9-11H2,1H3