[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H22FNO4 MolecularWeight: 335.369983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H22FNO4/c19-15-7-5-14(6-8-15)16(21)9-10-18(23)24-13-17(22)20-11-3-1-2-4-12-20/h5-8H,1-4,9-13H2