(2S)-3-methyl-2-[4-(phenylmethyl)piperazin-1-yl]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[4-(phenylmethyl)piperazin-1-yl]butanoic acid Openeye Name: (2S)-2-(4-benzylpiperazin-1-yl)-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[4-(phenylmethyl)-1-piperazinyl]butanoic acid IUPAC Name: (2S)-2-(4-benzylpiperazin-1-yl)-3-methylbutanoic acid Traditional Name: (2S)-2-(4-benzylpiperazino)-3-methyl-butyric acid Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-13(2)15(16(19)20)18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,20)/t15-/m0/s1