(3S)-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(E)-3-phenylacryloyl]nipecotic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H17NO3/c17-14(9-8-12-5-2-1-3-6-12)16-10-4-7-13(11-16)15(18)19/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,19)/b9-8+/t13-/m0/s1