(2,6-dimethylphenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (2,6-dimethylphenyl) ester Formula: C23H25NO3 MolecularWeight: 363.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H25NO3/c1-17-7-6-8-18(2)22(17)27-23(26)20-13-15-24(16-14-20)21(25)12-11-19-9-4-3-5-10-19/h3-12,20H,13-16H2,1-2H3/b12-11+