2-chloranyl-5-[3-[2-fluoranyl-4-(5-phenylpentoxy)phenyl]propanoyl-methyl-amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-[2-fluoranyl-4-(5-phenylpentoxy)phenyl]propanoyl-methyl-amino]benzoic acid Openeye Name: 2-chloro-5-[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]propanoyl-methyl-amino]benzoic acid CAS Name: 2-chloro-5-[[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]-1-oxopropyl]-methylamino]benzoic acid IUPAC Name: 2-chloro-5-[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]propanoyl-methylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[2-fluoro-4-(5-phenylpentoxy)phenyl]propanoyl-methyl-amino]benzoic acid Formula: C28H29ClFNO4 MolecularWeight: 497.985563

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)Cl)C(=O)O)C(=O)CCC2=C(C=C(C=C2)OCCCCCC3=CC=CC=C3)F

Isomeric SMILES

CN(C1=CC(=C(C=C1)Cl)C(=O)O)C(=O)CCC2=C(C=C(C=C2)OCCCCCC3=CC=CC=C3)F

InChI

InChI=1S/C28H29ClFNO4/c1-31(22-13-15-25(29)24(18-22)28(33)34)27(32)16-12-21-11-14-23(19-26(21)30)35-17-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11,13-15,18-19H,3,6-7,10,12,16-17H2,1H3,(H,33,34)