(2,3,6-trimethylphenyl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2,3,6-trimethylphenyl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2,3,6-trimethylphenyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (2,3,6-trimethylphenyl) ester Formula: C21H24FNO3 MolecularWeight: 357.418563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2F)C

InChI

InChI=1S/C21H24FNO3/c1-12(2)18(23-20(24)16-8-6-7-9-17(16)22)21(25)26-19-14(4)11-10-13(3)15(19)5/h6-12,18H,1-5H3,(H,23,24)/t18-/m0/s1