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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC=C2C(=O)OC)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC=C2C(=O)OC)Br

InChI

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