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

Systemtic Name: butyl 4-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)COC2=C(C=C(C=C2)CCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4/c1-3-5-13-27-22(26)17-8-10-18(11-9-17)24-21(25)15-28-20-12-7-16(6-4-2)14-19(20)23/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,25)