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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)Br

InChI

InChI=1S/C22H26BrNO4/c1-4-16-7-12-20(19(23)14-16)27-13-5-6-21(25)24-18-10-8-17(9-11-18)22(26)28-15(2)3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25)