(4-bromophenyl) 2-cyano-2-cyclopropyl-3-(3-phenoxyphenyl)propanoate

Systemtic Name: (4-bromophenyl) 2-cyano-2-cyclopropyl-3-(3-phenoxyphenyl)propanoate Openeye Name: (4-bromophenyl) 2-cyano-2-cyclopropyl-3-(3-phenoxyphenyl)propanoate CAS Name: 2-cyano-2-cyclopropyl-3-(3-phenoxyphenyl)propanoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-cyano-2-cyclopropyl-3-(3-phenoxyphenyl)propanoate Traditional Name: 2-cyano-2-cyclopropyl-3-(3-phenoxyphenyl)propionic acid (4-bromophenyl) ester Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(CC2=CC(=CC=C2)OC3=CC=CC=C3)(C#N)C(=O)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C(CC2=CC(=CC=C2)OC3=CC=CC=C3)(C#N)C(=O)OC4=CC=C(C=C4)Br

InChI

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