3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methyl-propanoic acid Openeye Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methyl-propanoic acid CAS Name: 3-[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]-2-methylpropanoic acid IUPAC Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methylpropanoic acid Traditional Name: 3-[4-(3,4-dichlorobenzyl)piperazino]-2-methyl-propionic acid Formula: C15H20Cl2N2O2 MolecularWeight: 331.2375

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CC(CN1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C15H20Cl2N2O2/c1-11(15(20)21)9-18-4-6-19(7-5-18)10-12-2-3-13(16)14(17)8-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,21)