[cyano-(3-phenoxyphenyl)methyl] 3-(3-bromanylpropoxy)-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-(3-bromanylpropoxy)-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-(3-bromopropoxy)-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-(3-bromopropoxy)-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-(3-bromopropoxy)-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-(3-bromopropoxy)-2,2-dimethyl-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1OCCCBr)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(C1OCCCBr)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C23H24BrNO4/c1-23(2)20(21(23)27-13-7-12-24)22(26)29-19(15-25)16-8-6-11-18(14-16)28-17-9-4-3-5-10-17/h3-6,8-11,14,19-21H,7,12-13H2,1-2H3