(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO5 MolecularWeight: 389.417363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24FNO5/c1-13(2)19(23-20(24)15-6-8-16(26-3)9-7-15)21(25)28-12-14-5-10-18(27-4)17(22)11-14/h5-11,13,19H,12H2,1-4H3,(H,23,24)/t19-/m0/s1