[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-acetamidobenzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-acetamidobenzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O5/c1-14(26)24-18-6-4-5-16(13-18)22(29)30-19-7-2-3-12-25(21(19)28)20(27)15-8-10-17(23)11-9-15/h4-6,8-11,13,19H,2-3,7,12H2,1H3,(H,24,26)