3-[3-[[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propoxy-propanoic acid

Systemtic Name: 3-[3-[[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[3-[[(4-chloro-2-fluoro-benzoyl)amino]methyl]-4-methoxy-phenyl]-2-propoxy-propanoic acid CAS Name: 3-[3-[[[(4-chloro-2-fluorophenyl)-oxomethyl]amino]methyl]-4-methoxyphenyl]-2-propoxypropanoic acid IUPAC Name: 3-[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]-2-propoxypropanoic acid Traditional Name: 3-[3-[[(4-chloro-2-fluoro-benzoyl)amino]methyl]-4-methoxy-phenyl]-2-propoxy-propionic acid Formula: C21H23ClFNO5 MolecularWeight: 423.862423

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=C(C=C(C=C2)Cl)F)C(=O)O

Isomeric SMILES

CCCOC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=C(C=C(C=C2)Cl)F)C(=O)O

InChI

InChI=1S/C21H23ClFNO5/c1-3-8-29-19(21(26)27)10-13-4-7-18(28-2)14(9-13)12-24-20(25)16-6-5-15(22)11-17(16)23/h4-7,9,11,19H,3,8,10,12H2,1-2H3,(H,24,25)(H,26,27)