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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-valeric acid Formula: C17H24FN3O3 MolecularWeight: 337.389163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24FN3O3/c1-3-12(2)15(16(22)23)19-17(24)21-10-8-20(9-11-21)14-6-4-13(18)5-7-14/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,24)(H,22,23)