[3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-decoxypyridin-2-yl)benzoate

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-decoxypyridin-2-yl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-decoxy-2-pyridyl)benzoate CAS Name: 4-(5-decoxy-2-pyridinyl)benzoic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 4-(5-decoxypyridin-2-yl)benzoate Traditional Name: 4-(5-decoxy-2-pyridyl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C29H40F3NO4 MolecularWeight: 523.62741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

InChI

InChI=1S/C29H40F3NO4/c1-3-5-7-8-9-10-11-12-20-36-25-17-18-26(33-21-25)23-13-15-24(16-14-23)28(34)37-27(29(30,31)32)22-35-19-6-4-2/h13-18,21,27H,3-12,19-20,22H2,1-2H3