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

Systemtic Name: (phenylmethyl) 4-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoyloxy]benzoate Openeye Name: benzyl 4-[4-(2-bromo-4-isopropyl-phenoxy)butanoyloxy]benzoate CAS Name: 4-[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(2-bromo-4-propan-2-ylphenoxy)butanoyloxy]benzoate Traditional Name: 4-[4-(2-bromo-4-isopropyl-phenoxy)butanoyloxy]benzoic acid benzyl ester Formula: C27H27BrO5 MolecularWeight: 511.40428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H27BrO5/c1-19(2)22-12-15-25(24(28)17-22)31-16-6-9-26(29)33-23-13-10-21(11-14-23)27(30)32-18-20-7-4-3-5-8-20/h3-5,7-8,10-15,17,19H,6,9,16,18H2,1-2H3