3-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]propanamide CAS Name: 3-[[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]propionamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H25BrN2O3/c1-15(2)18-12-17(22)8-9-19(18)27-14-21(26)24(11-10-20(23)25)13-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,23,25)