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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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