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

Systemtic Name: dibutyl 2-(4-azanyl-3-fluoranyl-phenyl)-2-methyl-propanedioate Openeye Name: dibutyl 2-(4-amino-3-fluoro-phenyl)-2-methyl-propanedioate CAS Name: 2-(4-amino-3-fluorophenyl)-2-methylpropanedioic acid dibutyl ester IUPAC Name: dibutyl 2-(4-amino-3-fluorophenyl)-2-methylpropanedioate Traditional Name: 2-(4-amino-3-fluoro-phenyl)-2-methyl-malonic acid dibutyl ester Formula: C18H26FNO4 MolecularWeight: 339.401743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCCC

InChI

InChI=1S/C18H26FNO4/c1-4-6-10-23-16(21)18(3,17(22)24-11-7-5-2)13-8-9-15(20)14(19)12-13/h8-9,12H,4-7,10-11,20H2,1-3H3