pentyl (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylcarbonyl)amino]propanoate

Systemtic Name: pentyl (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylcarbonyl)amino]propanoate Openeye Name: pentyl (2S)-2-(N-benzoyl-3-chloro-4-fluoro-anilino)propanoate CAS Name: (2S)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoic acid pentyl ester IUPAC Name: pentyl (2S)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate Traditional Name: (2S)-2-(N-benzoyl-3-chloro-4-fluoro-anilino)propionic acid amyl ester Formula: C21H23ClFNO3 MolecularWeight: 391.863623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)[C@H](C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23ClFNO3/c1-3-4-8-13-27-21(26)15(2)24(17-11-12-19(23)18(22)14-17)20(25)16-9-6-5-7-10-16/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3/t15-/m0/s1