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

Systemtic Name: ethyl 3-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]benzoate Openeye Name: ethyl 3-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate Traditional Name: 3-[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=C1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

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

InChI

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