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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-14(2)27-21(25)16-7-9-17(10-8-16)23-20(24)5-4-12-26-19-11-6-15(3)13-18(19)22/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24)