5-[4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(3-fluoro-4-methoxy-benzoyl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-(3-fluoro-4-methoxy-benzoyl)piperazino]-5-keto-3,3-dimethyl-valeric acid Formula: C19H25FN2O5 MolecularWeight: 380.410603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN2O5/c1-19(2,12-17(24)25)11-16(23)21-6-8-22(9-7-21)18(26)13-4-5-15(27-3)14(20)10-13/h4-5,10H,6-9,11-12H2,1-3H3,(H,24,25)