(4-cyano-4-fluoranyl-cyclohexa-2,5-dien-1-yl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-cyano-4-fluoranyl-cyclohexa-2,5-dien-1-yl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyano-4-fluoro-cyclohexa-2,5-dien-1-yl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate CAS Name: 4-(5-propyl-1,3-dioxan-2-yl)benzoic acid (4-cyano-4-fluoro-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-cyano-4-fluorocyclohexa-2,5-dien-1-yl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-propyl-1,3-dioxan-2-yl)benzoic acid (4-cyano-4-fluoro-cyclohexa-2,5-dien-1-yl) ester Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1COC(OC1)C2=CC=C(C=C2)C(=O)OC3C=CC(C=C3)(C#N)F

Isomeric SMILES

CCCC1COC(OC1)C2=CC=C(C=C2)C(=O)OC3C=CC(C=C3)(C#N)F

InChI

InChI=1S/C21H22FNO4/c1-2-3-15-12-25-20(26-13-15)17-6-4-16(5-7-17)19(24)27-18-8-10-21(22,14-23)11-9-18/h4-11,15,18,20H,2-3,12-13H2,1H3