2-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-[1-(2,4-dimethylphenyl)ethyl]-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-[4-[1-(2,4-dimethylphenyl)ethyl]piperazino]-2-keto-acetic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)N2CCN(CC2)C(=O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)N2CCN(CC2)C(=O)C(=O)O)C

InChI

InChI=1S/C16H22N2O3/c1-11-4-5-14(12(2)10-11)13(3)17-6-8-18(9-7-17)15(19)16(20)21/h4-5,10,13H,6-9H2,1-3H3,(H,20,21)