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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]benzoate Openeye Name: ethyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]benzoate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]benzoic acid ethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

InChI

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