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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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