5-[4-(2-chloranyl-4-fluoranyl-phenyl)carbonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(2-chloranyl-4-fluoranyl-phenyl)carbonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(2-chloro-4-fluoro-benzoyl)piperazin-1-yl]-3-methyl-5-oxo-pentanoic acid CAS Name: 5-[4-[(2-chloro-4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-methyl-5-oxopentanoic acid IUPAC Name: 5-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid Traditional Name: 5-[4-(2-chloro-4-fluoro-benzoyl)piperazino]-5-keto-3-methyl-valeric acid Formula: C17H20ClFN2O4 MolecularWeight: 370.803103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClFN2O4/c1-11(9-16(23)24)8-15(22)20-4-6-21(7-5-20)17(25)13-3-2-12(19)10-14(13)18/h2-3,10-11H,4-9H2,1H3,(H,23,24)