2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-butyric acid Formula: C16H22FN3O3 MolecularWeight: 323.362583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FN3O3/c1-11(2)14(15(21)22)18-16(23)20-9-7-19(8-10-20)13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,18,23)(H,21,22)