bis(2,2-dimethylpropyl) 2-(4-azanyl-3-fluoranyl-phenyl)-2-methyl-propanedioate

Systemtic Name: bis(2,2-dimethylpropyl) 2-(4-azanyl-3-fluoranyl-phenyl)-2-methyl-propanedioate Openeye Name: bis(2,2-dimethylpropyl) 2-(4-amino-3-fluoro-phenyl)-2-methyl-propanedioate CAS Name: 2-(4-amino-3-fluorophenyl)-2-methylpropanedioic acid bis(2,2-dimethylpropyl) ester IUPAC Name: bis(2,2-dimethylpropyl) 2-(4-amino-3-fluorophenyl)-2-methylpropanedioate Traditional Name: 2-(4-amino-3-fluoro-phenyl)-2-methyl-malonic acid dineopentyl ester Formula: C20H30FNO4 MolecularWeight: 367.454903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCC(C)(C)C

Isomeric SMILES

CC(C)(C)COC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCC(C)(C)C

InChI

InChI=1S/C20H30FNO4/c1-18(2,3)11-25-16(23)20(7,17(24)26-12-19(4,5)6)13-8-9-15(22)14(21)10-13/h8-10H,11-12,22H2,1-7H3