4-[[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[3-(4-bromophenoxy)-2-hydroxy-propyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-(4-bromophenoxy)-2-hydroxypropyl]-cyclopropylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[3-(4-bromophenoxy)-2-hydroxypropyl]-cyclopropylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[3-(4-bromophenoxy)-2-hydroxy-propyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CC(COC2=CC=C(C=C2)Br)O)C3CC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CC(COC2=CC=C(C=C2)Br)O)C3CC3

InChI

InChI=1S/C21H25BrN2O3/c1-23-21(26)16-4-2-15(3-5-16)12-24(18-8-9-18)13-19(25)14-27-20-10-6-17(22)7-11-20/h2-7,10-11,18-19,25H,8-9,12-14H2,1H3,(H,23,26)