[4-(4-fluorophenyl)-4-oxidanylidene-butyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H26FNO4 MolecularWeight: 399.455243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC(=O)C1=CC=C(C=C1)F)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCC(=O)C1=CC=C(C=C1)F)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H26FNO4/c1-16(2)22(25-21(27)15-17-7-4-3-5-8-17)23(28)29-14-6-9-20(26)18-10-12-19(24)13-11-18/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3,(H,25,27)/t22-/m0/s1