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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34FNO4/c1-15(2)8-6-12-27-20(25)22(5,17-10-11-19(24)18(23)14-17)21(26)28-13-7-9-16(3)4/h10-11,14-16H,6-9,12-13,24H2,1-5H3