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

Systemtic Name: 2-methylpropyl 4-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]benzoate Openeye Name: isobutyl 4-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-bromo-4-ethylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]benzoic acid isobutyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)Br

InChI

InChI=1S/C23H28BrNO4/c1-4-17-7-12-21(20(24)14-17)28-13-5-6-22(26)25-19-10-8-18(9-11-19)23(27)29-15-16(2)3/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,25,26)