(3S)-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[4-(2-fluorophenyl)-1-piperazinyl]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[4-(2-fluorophenyl)piperazino]-5-keto-3-methyl-valeric acid Formula: C16H21FN2O3 MolecularWeight: 308.347943

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)N1CCN(CC1)C2=CC=CC=C2F)CC(=O)O

InChI

InChI=1S/C16H21FN2O3/c1-12(11-16(21)22)10-15(20)19-8-6-18(7-9-19)14-5-3-2-4-13(14)17/h2-5,12H,6-11H2,1H3,(H,21,22)/t12-/m0/s1