(3S)-1-[(2S)-2-phenylbutanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2S)-2-phenylbutanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(2S)-2-phenylbutanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2S)-1-oxo-2-phenylbutyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(2S)-2-phenylbutanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(2S)-2-phenylbutanoyl]nipecotic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C16H21NO3/c1-2-14(12-7-4-3-5-8-12)15(18)17-10-6-9-13(11-17)16(19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,19,20)/t13-,14-/m0/s1