(2S)-2-(2-oxidanylidenepropyl)-4-(phenylmethyl)piperazine-1-carboxylic acid

Systemtic Name: (2S)-2-(2-oxidanylidenepropyl)-4-(phenylmethyl)piperazine-1-carboxylic acid Openeye Name: (2S)-2-acetonyl-4-benzyl-piperazine-1-carboxylic acid CAS Name: (2S)-2-(2-oxopropyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid IUPAC Name: (2S)-4-benzyl-2-(2-oxopropyl)piperazine-1-carboxylic acid Traditional Name: (2S)-2-acetonyl-4-benzyl-piperazine-1-carboxylic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CN(CCN1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C[C@H]1CN(CCN1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c1-12(18)9-14-11-16(7-8-17(14)15(19)20)10-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,19,20)/t14-/m0/s1