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

Systemtic Name: propan-2-yl 4-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]benzoate Openeye Name: isopropyl 4-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]benzoic acid isopropyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-15(2)18-9-12-21(20(24)14-18)28-13-5-6-22(26)25-19-10-7-17(8-11-19)23(27)29-16(3)4/h7-12,14-16H,5-6,13H2,1-4H3,(H,25,26)