butyl 2-cyano-4-fluoranyl-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoate

Systemtic Name: butyl 2-cyano-4-fluoranyl-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoate Openeye Name: butyl 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoate CAS Name: 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid butyl ester IUPAC Name: butyl 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoate Traditional Name: 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid butyl ester Formula: C20H21FN2O2 MolecularWeight: 340.391343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1C#N)F)N2C=C3CCCCC3=C2

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1C#N)F)N2C=C3CCCCC3=C2

InChI

InChI=1S/C20H21FN2O2/c1-2-3-8-25-20(24)17-10-19(18(21)9-16(17)11-22)23-12-14-6-4-5-7-15(14)13-23/h9-10,12-13H,2-8H2,1H3