trimethyl (1Z,2Z,4E)-3-piperidin-1-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate

Systemtic Name: trimethyl (1Z,2Z,4E)-3-piperidin-1-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate Openeye Name: trimethyl (1Z,2Z,4E)-3-(1-piperidyl)cyclododeca-2,4,12-triene-1,2,4-tricarboxylate CAS Name: (1Z,2Z,4E)-3-(1-piperidinyl)cyclododeca-2,4,12-triene-1,2,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1Z,2Z,4E)-3-piperidin-1-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate Traditional Name: (1Z,2Z,4E)-3-piperidinocyclododeca-2,4,12-triene-1,2,4-tricarboxylic acid trimethyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCCCCCCC=C(C(=C1C(=O)OC)N2CCCCC2)C(=O)OC

Isomeric SMILES

COC(=O)/C/1=C\CCCCCC/C=C(/C(=C1/C(=O)OC)/N2CCCCC2)/C(=O)OC

InChI

InChI=1S/C23H33NO6/c1-28-21(25)17-13-9-6-4-5-7-10-14-18(22(26)29-2)20(19(17)23(27)30-3)24-15-11-8-12-16-24/h13-14H,4-12,15-16H2,1-3H3/b17-13-,18-14+,20-19-