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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCCCC

InChI

InChI=1S/C20H30FNO4/c1-4-6-8-12-25-18(23)20(3,19(24)26-13-9-7-5-2)15-10-11-17(22)16(21)14-15/h10-11,14H,4-9,12-13,22H2,1-3H3