2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-butanoic acid Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-butanoic acid CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-3-methylbutanoic acid IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methylbutanoic acid Traditional Name: 2-[4-(4-chlorobenzyl)piperazino]-3-methyl-butyric acid Formula: C16H23ClN2O2 MolecularWeight: 310.81902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1CCN(CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)O)N1CCN(CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-12(2)15(16(20)21)19-9-7-18(8-10-19)11-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,20,21)