dimethyl 2,11-bis(phenylmethoxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate

Systemtic Name: dimethyl 2,11-bis(phenylmethoxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate Openeye Name: dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate CAS Name: 2,11-bis(phenylmethoxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioic acid dimethyl ester IUPAC Name: dimethyl 2,11-bis(phenylmethoxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate Traditional Name: 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioic acid dimethyl ester Formula: C32H30F6N2O8 MolecularWeight: 684.579619

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#CCCCCC#CC(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C#CCCCCC#CC(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C32H30F6N2O8/c1-45-25(41)29(31(33,34)35,39-27(43)47-21-23-15-9-7-10-16-23)19-13-5-3-4-6-14-20-30(26(42)46-2,32(36,37)38)40-28(44)48-22-24-17-11-8-12-18-24/h7-12,15-18H,3-6,21-22H2,1-2H3,(H,39,43)(H,40,44)