3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=CC(=C2)C(=O)NCCOC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=CC(=C2)C(=O)NCCOC)C)Br

InChI

InChI=1S/C21H25BrN2O4/c1-13-10-17(22)11-14(2)19(13)28-15(3)20(25)24-18-7-5-6-16(12-18)21(26)23-8-9-27-4/h5-7,10-12,15H,8-9H2,1-4H3,(H,23,26)(H,24,25)