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

Systemtic Name: propyl 3-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]benzoate Openeye Name: propyl 3-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[4-(2-bromo-4-methylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]benzoic acid propyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-3-11-27-21(25)16-6-4-7-17(14-16)23-20(24)8-5-12-26-19-10-9-15(2)13-18(19)22/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1-2H3,(H,23,24)