(2R,3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-5-methyl-2-oxidanyl-hexanoic acid

Systemtic Name: (2R,3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-5-methyl-2-oxidanyl-hexanoic acid Openeye Name: (2R,3S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-hydroxy-5-methyl-hexanoic acid CAS Name: (2R,3S)-3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-hydroxy-5-methylhexanoic acid IUPAC Name: (2R,3S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-hydroxy-5-methylhexanoic acid Traditional Name: (2R,3S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-hydroxy-5-methyl-hexanoic acid Formula: C18H25FN2O4 MolecularWeight: 352.400503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)O)O)C(=O)N1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C[C@@H]([C@H](C(=O)O)O)C(=O)N1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O4/c1-12(2)11-15(16(22)18(24)25)17(23)21-9-7-20(8-10-21)14-5-3-13(19)4-6-14/h3-6,12,15-16,22H,7-11H2,1-2H3,(H,24,25)/t15-,16+/m0/s1