butyl 3-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]benzoate Openeye Name: butyl 3-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]benzoic acid butyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C20H22BrNO4/c1-3-4-10-25-20(24)15-6-5-7-16(12-15)22-19(23)13-26-17-8-9-18(21)14(2)11-17/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,22,23)