2-[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-2-bromo-6-ethoxyphenoxy]-N-tert-butylacetamide IUPAC Name: 2-[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-2-bromo-6-ethoxyphenoxy]-N-tert-butylacetamide Traditional Name: 2-[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide Formula: C27H41BrN2O3 MolecularWeight: 521.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)Br)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CN[C@H](C)C23CC4CC(C2)CC(C4)C3)Br)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C27H41BrN2O3/c1-6-32-23-11-21(10-22(28)25(23)33-16-24(31)30-26(3,4)5)15-29-17(2)27-12-18-7-19(13-27)9-20(8-18)14-27/h10-11,17-20,29H,6-9,12-16H2,1-5H3,(H,30,31)/t17-,18?,19?,20?,27?/m1/s1