3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(m-tolylmethyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-methylbenzyl)piperazino]propionic acid Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-13-3-2-4-14(11-13)12-17-9-7-16(8-10-17)6-5-15(18)19/h2-4,11H,5-10,12H2,1H3,(H,18,19)