2-[2-bromanyl-4-[(cyclohexylamino)methyl]-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide

Systemtic Name: 2-[2-bromanyl-4-[(cyclohexylamino)methyl]-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[2-bromo-4-[(cyclohexylamino)methyl]-6-ethoxy-phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[2-bromo-4-[(cyclohexylamino)methyl]-6-ethoxyphenoxy]-N-tert-butylacetamide IUPAC Name: 2-[2-bromo-4-[(cyclohexylamino)methyl]-6-ethoxyphenoxy]-N-tert-butylacetamide Traditional Name: 2-[2-bromo-4-[(cyclohexylamino)methyl]-6-ethoxy-phenoxy]-N-tert-butyl-acetamide Formula: C21H33BrN2O3 MolecularWeight: 441.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2CCCCC2)Br)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2CCCCC2)Br)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C21H33BrN2O3/c1-5-26-18-12-15(13-23-16-9-7-6-8-10-16)11-17(22)20(18)27-14-19(25)24-21(2,3)4/h11-12,16,23H,5-10,13-14H2,1-4H3,(H,24,25)