(5-methyl-2-propan-2-yl-phenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C25H25BrO3 MolecularWeight: 453.3682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H25BrO3/c1-17(2)21-11-9-18(3)15-24(21)29-25(27)20-10-12-23(22(26)16-20)28-14-13-19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3