trimethyl (1Z,2Z,4E)-3-pyrrolidin-1-ylcyclohexadeca-2,4,16-triene-1,2,4-tricarboxylate

Systemtic Name: trimethyl (1Z,2Z,4E)-3-pyrrolidin-1-ylcyclohexadeca-2,4,16-triene-1,2,4-tricarboxylate Openeye Name: trimethyl (1Z,2Z,4E)-3-pyrrolidin-1-ylcyclohexadeca-2,4,16-triene-1,2,4-tricarboxylate CAS Name: (1Z,2Z,4E)-3-(1-pyrrolidinyl)cyclohexadeca-2,4,16-triene-1,2,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1Z,2Z,4E)-3-pyrrolidin-1-ylcyclohexadeca-2,4,16-triene-1,2,4-tricarboxylate Traditional Name: (1Z,2Z,4E)-3-pyrrolidinocyclohexadeca-2,4,16-triene-1,2,4-tricarboxylic acid trimethyl ester Formula: C26H39NO6 MolecularWeight: 461.59096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO6/c1-31-24(28)20-16-12-10-8-6-4-5-7-9-11-13-17-21(25(29)32-2)23(22(20)26(30)33-3)27-18-14-15-19-27/h16-17H,4-15,18-19H2,1-3H3/b20-16-,21-17+,23-22-