(2S)-4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: (2S)-4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: (2S)-4-[4-(4-chlorophenyl)piperazin-1-yl]-2-isopropyl-4-oxo-butanoic acid CAS Name: (2S)-4-[4-(4-chlorophenyl)-1-piperazinyl]-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: (2S)-4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: (2S)-4-[4-(4-chlorophenyl)piperazino]-2-isopropyl-4-keto-butyric acid Formula: C17H23ClN2O3 MolecularWeight: 338.82912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](CC(=O)N1CCN(CC1)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H23ClN2O3/c1-12(2)15(17(22)23)11-16(21)20-9-7-19(8-10-20)14-5-3-13(18)4-6-14/h3-6,12,15H,7-11H2,1-2H3,(H,22,23)/t15-/m0/s1