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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(o-anisoylamino)butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO4 MolecularWeight: 393.836443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H21ClFNO4/c1-12(2)18(23-19(24)13-7-4-5-10-17(13)26-3)20(25)27-11-14-15(21)8-6-9-16(14)22/h4-10,12,18H,11H2,1-3H3,(H,23,24)/t18-/m0/s1