N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-2-methyl-5-(2-oxidanyl-4-phenyl-butyl)hexanediamide

Systemtic Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-2-methyl-5-(2-oxidanyl-4-phenyl-butyl)hexanediamide Openeye Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(2-hydroxy-4-phenyl-butyl)-2-methyl-hexanediamide CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(2-hydroxy-4-phenylbutyl)-2-methylhexanediamide IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(2-hydroxy-4-phenylbutyl)-2-methylhexanediamide Traditional Name: 2-fluoro-N'-homoveratryl-5-(2-hydroxy-4-phenyl-butyl)-2-methyl-adipamide Formula: C27H37FN2O5 MolecularWeight: 488.591483

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC(CCC1=CC=CC=C1)O)C(=O)NCCC2=CC(=C(C=C2)OC)OC)(C(=O)N)F

Isomeric SMILES

CC(CCC(CC(CCC1=CC=CC=C1)O)C(=O)NCCC2=CC(=C(C=C2)OC)OC)(C(=O)N)F

InChI

InChI=1S/C27H37FN2O5/c1-27(28,26(29)33)15-13-21(18-22(31)11-9-19-7-5-4-6-8-19)25(32)30-16-14-20-10-12-23(34-2)24(17-20)35-3/h4-8,10,12,17,21-22,31H,9,11,13-16,18H2,1-3H3,(H2,29,33)(H,30,32)