2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-methyl-3-(1-oxopropylamino)phenyl]propanamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(4-methyl-3-propionamido-phenyl)propionamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C)C

InChI

InChI=1S/C21H25BrN2O3/c1-6-19(25)24-18-11-17(8-7-12(18)2)23-21(26)15(5)27-20-13(3)9-16(22)10-14(20)4/h7-11,15H,6H2,1-5H3,(H,23,26)(H,24,25)