(1S,6R)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[4-[(E)-cinnamyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[4-[(E)-cinnamyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C21H25N2O3- MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C21H26N2O3/c24-20(18-10-4-5-11-19(18)21(25)26)23-15-13-22(14-16-23)12-6-9-17-7-2-1-3-8-17/h1-9,18-19H,10-16H2,(H,25,26)/p-1/b9-6+/t18-,19+/m1/s1