[7-(4-cyanophenyl)-1-oxidanylidene-1-phenyl-heptan-3-yl] 2-bromanylethanoate

Systemtic Name: [7-(4-cyanophenyl)-1-oxidanylidene-1-phenyl-heptan-3-yl] 2-bromanylethanoate Openeye Name: [5-(4-cyanophenyl)-1-phenacyl-pentyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [7-(4-cyanophenyl)-1-oxo-1-phenylheptan-3-yl] ester IUPAC Name: [7-(4-cyanophenyl)-1-oxo-1-phenylheptan-3-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [5-(4-cyanophenyl)-1-phenacyl-pentyl] ester Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(CCCCC2=CC=C(C=C2)C#N)OC(=O)CBr

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(CCCCC2=CC=C(C=C2)C#N)OC(=O)CBr

InChI

InChI=1S/C22H22BrNO3/c23-15-22(26)27-20(14-21(25)19-7-2-1-3-8-19)9-5-4-6-17-10-12-18(16-24)13-11-17/h1-3,7-8,10-13,20H,4-6,9,14-15H2