ethyl 1-(1,5-dimethylpyrazol-3-yl)carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,5-dimethylpyrazol-3-yl)carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-(1,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,5-dimethylpyrazole-3-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-(1,5-dimethylpyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NN(C(=C2)C)C)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NN(C(=C2)C)C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-4-29-22(28)23(13-8-12-19-10-6-5-7-11-19)14-9-15-26(17-23)21(27)20-16-18(2)25(3)24-20/h5-8,10-12,16H,4,9,13-15,17H2,1-3H3/b12-8+