[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-furancarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate Traditional Name: 5-(4-fluorophenyl)furan-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO4 MolecularWeight: 359.391383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO4/c1-14(19(23)22-12-4-2-3-5-13-22)25-20(24)18-11-10-17(26-18)15-6-8-16(21)9-7-15/h6-11,14H,2-5,12-13H2,1H3