2-chloranyl-5-[3-[2-fluoranyl-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-[2-fluoranyl-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Formula: C27H27ClFNO4 MolecularWeight: 483.958983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC(=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC(=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)F

InChI

InChI=1S/C27H27ClFNO4/c28-24-14-12-21(17-23(24)27(32)33)30-26(31)15-11-20-10-13-22(18-25(20)29)34-16-6-2-5-9-19-7-3-1-4-8-19/h1,3-4,7-8,10,12-14,17-18H,2,5-6,9,11,15-16H2,(H,30,31)(H,32,33)