methyl 2-bromanyl-3-butoxy-4-(2-methylphenyl)-6-(phenylcarbonyl)benzoate

Systemtic Name: methyl 2-bromanyl-3-butoxy-4-(2-methylphenyl)-6-(phenylcarbonyl)benzoate Openeye Name: methyl 6-benzoyl-2-bromo-3-butoxy-4-(o-tolyl)benzoate CAS Name: 6-benzoyl-2-bromo-3-butoxy-4-(2-methylphenyl)benzoic acid methyl ester IUPAC Name: methyl 6-benzoyl-2-bromo-3-butoxy-4-(2-methylphenyl)benzoate Traditional Name: 6-benzoyl-2-bromo-3-butoxy-4-(o-tolyl)benzoic acid methyl ester Formula: C26H25BrO4 MolecularWeight: 481.3783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1C2=CC=CC=C2C)C(=O)C3=CC=CC=C3)C(=O)OC)Br

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1C2=CC=CC=C2C)C(=O)C3=CC=CC=C3)C(=O)OC)Br

InChI

InChI=1S/C26H25BrO4/c1-4-5-15-31-25-20(19-14-10-9-11-17(19)2)16-21(22(23(25)27)26(29)30-3)24(28)18-12-7-6-8-13-18/h6-14,16H,4-5,15H2,1-3H3