(phenylmethyl) 4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[(E)-3-(4-pyridyl)prop-2-enoyl]piperidine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-(4-pyridyl)acryloyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C=CC2=CC=NC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)/C=C/C2=CC=NC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c24-20(7-6-17-8-12-22-13-9-17)19-10-14-23(15-11-19)21(25)26-16-18-4-2-1-3-5-18/h1-9,12-13,19H,10-11,14-16H2/b7-6+