(1S,2R)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H28N2O3/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/h1-3,6-9,18-19H,4-5,10-16H2,(H,25,26)/b9-6+/t18-,19+/m1/s1