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

Systemtic Name: propyl 3-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]benzoate Openeye Name: propyl 3-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]benzoic acid propyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4/c1-5-11-27-21(26)15-7-6-8-17(12-15)24-20(25)14-28-19-10-9-16(23)13-18(19)22(2,3)4/h6-10,12-13H,5,11,14H2,1-4H3,(H,24,25)