7-(4-chlorophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-heptanoic acid Openeye Name: 2-(4-benzylpiperazine-1-carbonyl)-7-(4-chlorophenyl)heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]heptanoic acid IUPAC Name: 2-(4-benzylpiperazine-1-carbonyl)-7-(4-chlorophenyl)heptanoic acid Traditional Name: 2-(4-benzylpiperazine-1-carbonyl)-7-(4-chlorophenyl)enanthic acid Formula: C25H31ClN2O3 MolecularWeight: 442.97824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CCCCCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CCCCCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C25H31ClN2O3/c26-22-13-11-20(12-14-22)7-3-2-6-10-23(25(30)31)24(29)28-17-15-27(16-18-28)19-21-8-4-1-5-9-21/h1,4-5,8-9,11-14,23H,2-3,6-7,10,15-19H2,(H,30,31)