[2-methyl-4-(phenylcarbonyl)phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: [2-methyl-4-(phenylcarbonyl)phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: (4-benzoyl-2-methyl-phenyl) 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoic acid (4-benzoyl-2-methylphenyl) ester IUPAC Name: (4-benzoyl-2-methylphenyl) 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid (4-benzoyl-2-methyl-phenyl) ester Formula: C27H27BrO4 MolecularWeight: 495.40488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)CCCOC3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)CCCOC3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C27H27BrO4/c1-18(2)21-11-14-25(23(28)17-21)31-15-7-10-26(29)32-24-13-12-22(16-19(24)3)27(30)20-8-5-4-6-9-20/h4-6,8-9,11-14,16-18H,7,10,15H2,1-3H3