(2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H23ClFNO4 MolecularWeight: 407.863023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C21H23ClFNO4/c1-4-27-18-11-6-5-8-14(18)20(25)24-19(13(2)3)21(26)28-12-15-16(22)9-7-10-17(15)23/h5-11,13,19H,4,12H2,1-3H3,(H,24,25)/t19-/m0/s1