ethyl (3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[(1-methylpyrazol-4-yl)methyl]nipecotic acid ethyl ester Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN(N=C2)C)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CN(N=C2)C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-3-27-21(26)22(12-7-11-19-9-5-4-6-10-19)13-8-14-25(18-22)17-20-15-23-24(2)16-20/h4-7,9-11,15-16H,3,8,12-14,17-18H2,1-2H3/b11-7+/t22-/m1/s1