[4-(4-fluorophenyl)-4-oxidanylidene-butyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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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)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCCCC(=O)C1=CC=C(C=C1)F)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H25FN2O4/c1-15(2)20(25-22(28)24-18-7-4-3-5-8-18)21(27)29-14-6-9-19(26)16-10-12-17(23)13-11-16/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3,(H2,24,25,28)/t20-/m1/s1