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

Systemtic Name: N-[3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-2-methyl-phenyl]cyclopropanecarboxamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC(=C2C)NC(=O)C3CC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC(=C2C)NC(=O)C3CC3)C)Br

InChI

InChI=1S/C21H23BrN2O3/c1-12-9-16(22)10-13(2)20(12)27-11-19(25)23-17-5-4-6-18(14(17)3)24-21(26)15-7-8-15/h4-6,9-10,15H,7-8,11H2,1-3H3,(H,23,25)(H,24,26)