(2R,3S)-4-[(4-fluorophenyl)amino]-3-methyl-2-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R,3S)-4-[(4-fluorophenyl)amino]-3-methyl-2-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (2R,3S)-4-(4-fluoroanilino)-3-methyl-4-oxo-2-(p-tolylmethyl)butanoate CAS Name: (2R,3S)-4-(4-fluoroanilino)-3-methyl-2-[(4-methylphenyl)methyl]-4-oxobutanoate IUPAC Name: (2R,3S)-4-(4-fluoroanilino)-3-methyl-2-[(4-methylphenyl)methyl]-4-oxobutanoate Traditional Name: (2R,3S)-4-(4-fluoroanilino)-4-keto-3-methyl-2-(4-methylbenzyl)butyrate Formula: C19H19FNO3- MolecularWeight: 328.357463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(C)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H]([C@H](C)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C19H20FNO3/c1-12-3-5-14(6-4-12)11-17(19(23)24)13(2)18(22)21-16-9-7-15(20)8-10-16/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24)/p-1/t13-,17+/m0/s1