3-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3,5-dimethylphenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3,5-dimethylbenzyl)piperazino]propionic acid Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2CCN(CC2)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2CCN(CC2)CCC(=O)O)C

InChI

InChI=1S/C16H24N2O2/c1-13-9-14(2)11-15(10-13)12-18-7-5-17(6-8-18)4-3-16(19)20/h9-11H,3-8,12H2,1-2H3,(H,19,20)