[cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropyl-ethanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropyl-ethanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropyl-acetate CAS Name: 2-(4-bromophenyl)-2-cyclopropylacetic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropylacetate Traditional Name: 2-(4-bromophenyl)-2-cyclopropyl-acetic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=C(C=C2)Br)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC1C(C2=CC=C(C=C2)Br)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H20BrNO3/c26-20-13-11-18(12-14-20)24(17-9-10-17)25(28)30-23(16-27)19-5-4-8-22(15-19)29-21-6-2-1-3-7-21/h1-8,11-15,17,23-24H,9-10H2