5-[4-(4-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(4-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(4-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-(4-chlorophenyl)-1-piperazinyl]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(4-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-(4-chlorophenyl)piperazino]-5-keto-3,3-dimethyl-valeric acid Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O3/c1-17(2,12-16(22)23)11-15(21)20-9-7-19(8-10-20)14-5-3-13(18)4-6-14/h3-6H,7-12H2,1-2H3,(H,22,23)