(2-acetamidophenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2-acetamidophenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2-acetamidophenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2-acetamidophenyl) ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2NC(=O)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2NC(=O)C)Br

InChI

InChI=1S/C21H24BrNO4/c1-3-4-5-8-13-26-19-12-11-16(14-17(19)22)21(25)27-20-10-7-6-9-18(20)23-15(2)24/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,23,24)