3-[4-[2-(4-methylphenyl)ethanoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(4-methylphenyl)ethanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(p-tolyl)acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-(4-methylphenyl)-1-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(p-tolyl)acetyl]piperazino]propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)12-15(19)18-10-8-17(9-11-18)7-6-16(20)21/h2-5H,6-12H2,1H3,(H,20,21)