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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C26H22FNO5 MolecularWeight: 447.454983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FNO5/c27-21-12-8-19(9-13-21)24(30)28-16-2-1-3-23(25(28)31)33-26(32)20-6-4-17(5-7-20)18-10-14-22(29)15-11-18/h4-15,23,29H,1-3,16H2