methyl 4-[4-(1-azanyl-6-fluoranyl-hexyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-azanyl-6-fluoranyl-hexyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-amino-6-fluoro-hexyl)phenyl]butanoate CAS Name: 4-[4-(1-amino-6-fluorohexyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-amino-6-fluorohexyl)phenyl]butanoate Traditional Name: 4-[4-(1-amino-6-fluoro-hexyl)phenyl]butyric acid methyl ester Formula: C17H26FNO2 MolecularWeight: 295.392243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CCCCCF)N

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CCCCCF)N

InChI

InChI=1S/C17H26FNO2/c1-21-17(20)8-5-6-14-9-11-15(12-10-14)16(19)7-3-2-4-13-18/h9-12,16H,2-8,13,19H2,1H3