(2-chloranyl-4-fluoranyl-phenyl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (2-chloro-4-fluoro-benzyl) ester Formula: C18H17ClFNO3 MolecularWeight: 349.783883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C18H17ClFNO3/c1-11-4-3-5-13(8-11)17(22)21-12(2)18(23)24-10-14-6-7-15(20)9-16(14)19/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m0/s1