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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)Br

InChI

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