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

Systemtic Name: trimethyl (1Z,2Z,4E)-3-pyrrolidin-1-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate Openeye Name: trimethyl (1Z,2Z,4E)-3-pyrrolidin-1-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate CAS Name: (1Z,2Z,4E)-3-(1-pyrrolidinyl)cyclododeca-2,4,12-triene-1,2,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1Z,2Z,4E)-3-pyrrolidin-1-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate Traditional Name: (1Z,2Z,4E)-3-pyrrolidinocyclododeca-2,4,12-triene-1,2,4-tricarboxylic acid trimethyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCCCCCCC=C(C(=C1C(=O)OC)N2CCCC2)C(=O)OC

Isomeric SMILES

COC(=O)/C/1=C\CCCCCC/C=C(/C(=C1/C(=O)OC)/N2CCCC2)/C(=O)OC

InChI

InChI=1S/C22H31NO6/c1-27-20(24)16-12-8-6-4-5-7-9-13-17(21(25)28-2)19(18(16)22(26)29-3)23-14-10-11-15-23/h12-13H,4-11,14-15H2,1-3H3/b16-12-,17-13+,19-18-