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

Systemtic Name: trimethyl (1Z,2Z,4E)-3-morpholin-4-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate Openeye Name: trimethyl (1Z,2Z,4E)-3-morpholinocyclododeca-2,4,12-triene-1,2,4-tricarboxylate CAS Name: (1Z,2Z,4E)-3-(4-morpholinyl)cyclododeca-2,4,12-triene-1,2,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1Z,2Z,4E)-3-morpholin-4-ylcyclododeca-2,4,12-triene-1,2,4-tricarboxylate Traditional Name: (1Z,2Z,4E)-3-morpholinocyclododeca-2,4,12-triene-1,2,4-tricarboxylic acid trimethyl ester Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCCCCCCC=C(C(=C1C(=O)OC)N2CCOCC2)C(=O)OC

Isomeric SMILES

COC(=O)/C/1=C\CCCCCC/C=C(/C(=C1/C(=O)OC)/N2CCOCC2)/C(=O)OC

InChI

InChI=1S/C22H31NO7/c1-27-20(24)16-10-8-6-4-5-7-9-11-17(21(25)28-2)19(18(16)22(26)29-3)23-12-14-30-15-13-23/h10-11H,4-9,12-15H2,1-3H3/b16-10-,17-11+,19-18-