2-[4-[[4-fluoranyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[[4-fluoranyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[[4-fluoro-1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[4-fluoro-1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[[4-fluoro-1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(4-fluoro-1-isovaleryl-pyrrolidin-2-yl)methyl]piperazino]acetic acid Formula: C16H28FN3O3 MolecularWeight: 329.410223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC(CC1CN2CCN(CC2)CC(=O)O)F

Isomeric SMILES

CC(C)CC(=O)N1CC(CC1CN2CCN(CC2)CC(=O)O)F

InChI

InChI=1S/C16H28FN3O3/c1-12(2)7-15(21)20-9-13(17)8-14(20)10-18-3-5-19(6-4-18)11-16(22)23/h12-14H,3-11H2,1-2H3,(H,22,23)