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

Systemtic Name: (1-cyano-6-fluoranyl-cyclohexa-2,4-dien-1-yl) 4-butylbenzoate Openeye Name: (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (1-cyano-6-fluoro-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (1-cyano-6-fluorocyclohexa-2,4-dien-1-yl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (1-cyano-6-fluoro-cyclohexa-2,4-dien-1-yl) ester Formula: C18H18FNO2 MolecularWeight: 299.339423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2(C=CC=CC2F)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2(C=CC=CC2F)C#N

InChI

InChI=1S/C18H18FNO2/c1-2-3-6-14-8-10-15(11-9-14)17(21)22-18(13-20)12-5-4-7-16(18)19/h4-5,7-12,16H,2-3,6H2,1H3