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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C27H21ClFNO5 MolecularWeight: 493.910743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H21ClFNO5/c28-19-12-8-17(9-13-19)24(31)21-5-1-2-6-22(21)27(34)35-23-7-3-4-16-30(26(23)33)25(32)18-10-14-20(29)15-11-18/h1-2,5-6,8-15,23H,3-4,7,16H2