(4-cyanophenyl) 2,3,6-tris(fluoranyl)-4-[(4-pyrrolidin-2-ylcarbonylcyclohexyl)methoxy]benzoate

Systemtic Name: (4-cyanophenyl) 2,3,6-tris(fluoranyl)-4-[(4-pyrrolidin-2-ylcarbonylcyclohexyl)methoxy]benzoate Openeye Name: (4-cyanophenyl) 2,3,6-trifluoro-4-[[4-(pyrrolidine-2-carbonyl)cyclohexyl]methoxy]benzoate CAS Name: 2,3,6-trifluoro-4-[[4-[oxo(2-pyrrolidinyl)methyl]cyclohexyl]methoxy]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,3,6-trifluoro-4-[[4-(pyrrolidine-2-carbonyl)cyclohexyl]methoxy]benzoate Traditional Name: 2,3,6-trifluoro-4-[(4-prolylcyclohexyl)methoxy]benzoic acid (4-cyanophenyl) ester Formula: C26H25F3N2O4 MolecularWeight: 486.48291

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2CCC(CC2)COC3=CC(=C(C(=C3F)F)C(=O)OC4=CC=C(C=C4)C#N)F

Isomeric SMILES

C1CC(NC1)C(=O)C2CCC(CC2)COC3=CC(=C(C(=C3F)F)C(=O)OC4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C26H25F3N2O4/c27-19-12-21(34-14-16-3-7-17(8-4-16)25(32)20-2-1-11-31-20)23(28)24(29)22(19)26(33)35-18-9-5-15(13-30)6-10-18/h5-6,9-10,12,16-17,20,31H,1-4,7-8,11,14H2