ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(4-pyridyl)prop-2-enoyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(4-pyridyl)acryloyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]isonipecotic acid ethyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C=CC2=CC=NC=C2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CC=NC=C2)C[C@H]3CCCCO3

InChI

InChI=1S/C22H30N2O4/c1-2-27-21(26)22(17-19-5-3-4-16-28-19)10-14-24(15-11-22)20(25)7-6-18-8-12-23-13-9-18/h6-9,12-13,19H,2-5,10-11,14-17H2,1H3/b7-6+/t19-/m1/s1