(1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-pentylbenzoate

Systemtic Name: (1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-pentylbenzoate Openeye Name: (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (1-cyano-6-fluoro-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (1-cyano-6-fluorocyclohexa-2,4-dien-1-yl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) ester Formula: C19H20FNO2 MolecularWeight: 313.366003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC=CC2F)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC=CC2F)C#N

InChI

InChI=1S/C19H20FNO2/c1-2-3-4-7-15-9-11-16(12-10-15)18(22)23-19(14-21)13-6-5-8-17(19)20/h5-6,8-13,17H,2-4,7H2,1H3