ethyl (3S)-1-[(5-ethyl-4-methyl-1H-pyrazol-3-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-ethyl-4-methyl-1H-pyrazol-3-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(5-ethyl-4-methyl-1H-pyrazol-3-yl)-oxomethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)N2CCCC(C2)(CC=CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N2CCC[C@@](C2)(C/C=C/C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C24H31N3O3/c1-4-20-18(3)21(26-25-20)22(28)27-16-10-15-24(17-27,23(29)30-5-2)14-9-13-19-11-7-6-8-12-19/h6-9,11-13H,4-5,10,14-17H2,1-3H3,(H,25,26)/b13-9+/t24-/m1/s1