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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCC(C)(C)C

Isomeric SMILES

CC(C)(C)CCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCC(C)(C)C

InChI

InChI=1S/C22H34FNO4/c1-20(2,3)10-12-27-18(25)22(7,15-8-9-17(24)16(23)14-15)19(26)28-13-11-21(4,5)6/h8-9,14H,10-13,24H2,1-7H3