2-azanyl-6-(4-chlorophenyl)-6-[4-(2-fluorophenyl)carbonylphenoxy]hexanoic acid

Systemtic Name: 2-azanyl-6-(4-chlorophenyl)-6-[4-(2-fluorophenyl)carbonylphenoxy]hexanoic acid Openeye Name: 2-amino-6-(4-chlorophenyl)-6-[4-(2-fluorobenzoyl)phenoxy]hexanoic acid CAS Name: 2-amino-6-(4-chlorophenyl)-6-[4-[(2-fluorophenyl)-oxomethyl]phenoxy]hexanoic acid IUPAC Name: 2-amino-6-(4-chlorophenyl)-6-[4-(2-fluorobenzoyl)phenoxy]hexanoic acid Traditional Name: 2-amino-6-(4-chlorophenyl)-6-[4-(2-fluorobenzoyl)phenoxy]hexanoic acid Formula: C25H23ClFNO4 MolecularWeight: 455.905823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)OC(CCCC(C(=O)O)N)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)OC(CCCC(C(=O)O)N)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C25H23ClFNO4/c26-18-12-8-16(9-13-18)23(7-3-6-22(28)25(30)31)32-19-14-10-17(11-15-19)24(29)20-4-1-2-5-21(20)27/h1-2,4-5,8-15,22-23H,3,6-7,28H2,(H,30,31)