4-(phenylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[(E)-3-phenylacryloyl]isonipecotic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23NO3/c24-20(12-11-18-7-3-1-4-8-18)23-15-13-22(14-16-23,21(25)26)17-19-9-5-2-6-10-19/h1-12H,13-17H2,(H,25,26)/b12-11+