N-(6-azanylhexyl)-2-[2-(3-fluoranyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]-N-(4-oxidanylidenebutyl)benzamide

Systemtic Name: N-(6-azanylhexyl)-2-[2-(3-fluoranyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]-N-(4-oxidanylidenebutyl)benzamide Openeye Name: N-(6-aminohexyl)-2-[2-(3-fluoro-4-hydroxy-phenyl)-2-hydroxy-ethyl]-N-(4-oxobutyl)benzamide CAS Name: N-(6-aminohexyl)-2-[2-(3-fluoro-4-hydroxyphenyl)-2-hydroxyethyl]-N-(4-oxobutyl)benzamide IUPAC Name: N-(6-aminohexyl)-2-[2-(3-fluoro-4-hydroxyphenyl)-2-hydroxyethyl]-N-(4-oxobutyl)benzamide Traditional Name: N-(6-aminohexyl)-2-[2-(3-fluoro-4-hydroxy-phenyl)-2-hydroxy-ethyl]-N-(4-ketobutyl)benzamide Formula: C25H33FN2O4 MolecularWeight: 444.538923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C2=CC(=C(C=C2)O)F)O)C(=O)N(CCCCCCN)CCCC=O

Isomeric SMILES

C1=CC=C(C(=C1)CC(C2=CC(=C(C=C2)O)F)O)C(=O)N(CCCCCCN)CCCC=O

InChI

InChI=1S/C25H33FN2O4/c26-22-17-20(11-12-23(22)30)24(31)18-19-9-3-4-10-21(19)25(32)28(15-7-8-16-29)14-6-2-1-5-13-27/h3-4,9-12,16-17,24,30-31H,1-2,5-8,13-15,18,27H2