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

Systemtic Name: 2-methylpropyl 4-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]benzoate Openeye Name: isobutyl 4-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-bromo-4-methylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]benzoic acid isobutyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)Br

InChI

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