propyl 3-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: propyl 3-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]benzoate Openeye Name: propyl 3-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[4-(2-bromo-4-ethylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]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)CCCOC2=C(C=C(C=C2)CC)Br

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=C(C=C(C=C2)CC)Br

InChI

InChI=1S/C22H26BrNO4/c1-3-12-28-22(26)17-7-5-8-18(15-17)24-21(25)9-6-13-27-20-11-10-16(4-2)14-19(20)23/h5,7-8,10-11,14-15H,3-4,6,9,12-13H2,1-2H3,(H,24,25)