dihexyl 2-(4-azanyl-3-fluoranyl-phenyl)-2-methyl-propanedioate

Systemtic Name: dihexyl 2-(4-azanyl-3-fluoranyl-phenyl)-2-methyl-propanedioate Openeye Name: dihexyl 2-(4-amino-3-fluoro-phenyl)-2-methyl-propanedioate CAS Name: 2-(4-amino-3-fluorophenyl)-2-methylpropanedioic acid dihexyl ester IUPAC Name: dihexyl 2-(4-amino-3-fluorophenyl)-2-methylpropanedioate Traditional Name: 2-(4-amino-3-fluoro-phenyl)-2-methyl-malonic acid dihexyl ester Formula: C22H34FNO4 MolecularWeight: 395.508063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCCCCC

InChI

InChI=1S/C22H34FNO4/c1-4-6-8-10-14-27-20(25)22(3,17-12-13-19(24)18(23)16-17)21(26)28-15-11-9-7-5-2/h12-13,16H,4-11,14-15,24H2,1-3H3