(2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: (2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: (2S)-2-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid CAS Name: (2S)-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: (2S)-2-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid Traditional Name: (2S)-2-(4-p-toluoylpiperazino)propionic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)[C@@H](C)C(=O)O

InChI

InChI=1S/C15H20N2O3/c1-11-3-5-13(6-4-11)14(18)17-9-7-16(8-10-17)12(2)15(19)20/h3-6,12H,7-10H2,1-2H3,(H,19,20)/t12-/m0/s1