(4-cyano-4-fluoranyl-cyclohexa-2,5-dien-1-yl) 4-propoxybenzoate

Systemtic Name: (4-cyano-4-fluoranyl-cyclohexa-2,5-dien-1-yl) 4-propoxybenzoate Openeye Name: (4-cyano-4-fluoro-cyclohexa-2,5-dien-1-yl) 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid (4-cyano-4-fluoro-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-cyano-4-fluorocyclohexa-2,5-dien-1-yl) 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid (4-cyano-4-fluoro-cyclohexa-2,5-dien-1-yl) ester Formula: C17H16FNO3 MolecularWeight: 301.312243

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2C=CC(C=C2)(C#N)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2C=CC(C=C2)(C#N)F

InChI

InChI=1S/C17H16FNO3/c1-2-11-21-14-5-3-13(4-6-14)16(20)22-15-7-9-17(18,12-19)10-8-15/h3-10,15H,2,11H2,1H3