ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(2-pyrazol-1-ylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(2-pyrazol-1-ylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-(1-pyrazolyl)ethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-(2-pyrazol-1-ylacetyl)nipecotic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CN2C=CC=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CN2C=CC=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-2-28-21(27)22(12-6-11-19-9-4-3-5-10-19)13-7-15-24(18-22)20(26)17-25-16-8-14-23-25/h3-6,8-11,14,16H,2,7,12-13,15,17-18H2,1H3/b11-6+/t22-/m1/s1