4-[1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propan-2-yl]benzoic acid

Systemtic Name: 4-[1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propan-2-yl]benzoic acid Openeye Name: 4-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-ethyl]benzoic acid CAS Name: 4-[1-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]propan-2-yl]benzoic acid IUPAC Name: 4-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-2-yl]benzoic acid Traditional Name: 4-[2-[4-(4-chlorobenzoyl)piperazino]-1-methyl-ethyl]benzoic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(CN1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23ClN2O3/c1-15(16-2-4-18(5-3-16)21(26)27)14-23-10-12-24(13-11-23)20(25)17-6-8-19(22)9-7-17/h2-9,15H,10-14H2,1H3,(H,26,27)