N-[(2S)-pentan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2S)-pentan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methylbutyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[(2S)-pentan-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-pentan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-methylbutyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O2/c1-3-7-16(2)21-20(24)18-12-14-22(15-13-18)19(23)11-10-17-8-5-4-6-9-17/h4-6,8-11,16,18H,3,7,12-15H2,1-2H3,(H,21,24)/b11-10+/t16-/m0/s1