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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-17-8-10-21(16-18(17)2)27-23(26)20-12-14-24(15-13-20)22(25)11-9-19-6-4-3-5-7-19/h3-11,16,20H,12-15H2,1-2H3/b11-9+