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

Systemtic Name: 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-N-propyl-benzamide Openeye Name: 3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-N-propyl-benzamide CAS Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-N-propylbenzamide IUPAC Name: 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-propylbenzamide Traditional Name: 3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-N-propyl-benzamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H25BrN2O3/c1-5-9-23-21(26)16-7-6-8-18(12-16)24-20(25)15(4)27-19-13(2)10-17(22)11-14(19)3/h6-8,10-12,15H,5,9H2,1-4H3,(H,23,26)(H,24,25)