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

Systemtic Name: butyl (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylcarbonyl)amino]propanoate Openeye Name: butyl (2S)-2-(N-benzoyl-3-chloro-4-fluoro-anilino)propanoate CAS Name: (2S)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoic acid butyl ester IUPAC Name: butyl (2S)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate Traditional Name: (2S)-2-(N-benzoyl-3-chloro-4-fluoro-anilino)propionic acid butyl ester Formula: C20H21ClFNO3 MolecularWeight: 377.837043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFNO3/c1-3-4-12-26-20(25)14(2)23(16-10-11-18(22)17(21)13-16)19(24)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3/t14-/m0/s1