[1-[(E)-but-2-enoyl]-2,6-diethyl-2,3,6-trimethyl-piperidin-4-yl] benzoate

Systemtic Name: [1-[(E)-but-2-enoyl]-2,6-diethyl-2,3,6-trimethyl-piperidin-4-yl] benzoate Openeye Name: [1-[(E)-but-2-enoyl]-2,6-diethyl-2,3,6-trimethyl-4-piperidyl] benzoate CAS Name: benzoic acid [2,6-diethyl-2,3,6-trimethyl-1-[(E)-1-oxobut-2-enyl]-4-piperidinyl] ester IUPAC Name: [1-[(E)-but-2-enoyl]-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [1-[(E)-but-2-enoyl]-2,6-diethyl-2,3,6-trimethyl-4-piperidyl] ester Formula: C23H33NO3 MolecularWeight: 371.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C(C(N1C(=O)C=CC)(C)CC)C)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1(CC(C(C(N1C(=O)/C=C/C)(C)CC)C)OC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C23H33NO3/c1-7-13-20(25)24-22(5,8-2)16-19(17(4)23(24,6)9-3)27-21(26)18-14-11-10-12-15-18/h7,10-15,17,19H,8-9,16H2,1-6H3/b13-7+