bis(pyridin-2-ylmethyl) (2R,3R)-2-butyl-3-[4-(trifluoromethyl)phenyl]butanedioate

Systemtic Name: bis(pyridin-2-ylmethyl) (2R,3R)-2-butyl-3-[4-(trifluoromethyl)phenyl]butanedioate Openeye Name: bis(2-pyridylmethyl) (2R,3R)-2-butyl-3-[4-(trifluoromethyl)phenyl]butanedioate CAS Name: (2R,3R)-2-butyl-3-[4-(trifluoromethyl)phenyl]butanedioic acid bis(2-pyridinylmethyl) ester IUPAC Name: bis(pyridin-2-ylmethyl) (2R,3R)-2-butyl-3-[4-(trifluoromethyl)phenyl]butanedioate Traditional Name: (2R,3R)-2-butyl-3-[4-(trifluoromethyl)phenyl]succinic acid bis(2-pyridylmethyl) ester Formula: C27H27F3N2O4 MolecularWeight: 500.50949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)OCC2=CC=CC=N2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CCCC[C@H]([C@H](C1=CC=C(C=C1)C(F)(F)F)C(=O)OCC2=CC=CC=N2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C27H27F3N2O4/c1-2-3-10-23(25(33)35-17-21-8-4-6-15-31-21)24(19-11-13-20(14-12-19)27(28,29)30)26(34)36-18-22-9-5-7-16-32-22/h4-9,11-16,23-24H,2-3,10,17-18H2,1H3/t23-,24+/m1/s1