(4-butyl-2-cyano-phenyl) 3-bromanyl-4-heptoxy-benzoate

Systemtic Name: (4-butyl-2-cyano-phenyl) 3-bromanyl-4-heptoxy-benzoate Openeye Name: (4-butyl-2-cyano-phenyl) 3-bromo-4-heptoxy-benzoate CAS Name: 3-bromo-4-heptoxybenzoic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 3-bromo-4-heptoxybenzoate Traditional Name: 3-bromo-4-heptoxy-benzoic acid (4-butyl-2-cyano-phenyl) ester Formula: C25H30BrNO3 MolecularWeight: 472.4146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCC)C#N)Br

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCC)C#N)Br

InChI

InChI=1S/C25H30BrNO3/c1-3-5-7-8-9-15-29-24-14-12-20(17-22(24)26)25(28)30-23-13-11-19(10-6-4-2)16-21(23)18-27/h11-14,16-17H,3-10,15H2,1-2H3