(phenylmethyl) 2-(4-azidophenyl)-2-cyano-3-methyl-3-phenoxy-butanoate

Systemtic Name: (phenylmethyl) 2-(4-azidophenyl)-2-cyano-3-methyl-3-phenoxy-butanoate Openeye Name: benzyl 2-(4-azidophenyl)-2-cyano-3-methyl-3-phenoxy-butanoate CAS Name: 2-(4-azidophenyl)-2-cyano-3-methyl-3-phenoxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-azidophenyl)-2-cyano-3-methyl-3-phenoxybutanoate Traditional Name: 2-(4-azidophenyl)-2-cyano-3-methyl-3-phenoxy-butyric acid benzyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C#N)(C1=CC=C(C=C1)N=[N+]=[N-])C(=O)OCC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(C#N)(C1=CC=C(C=C1)N=[N+]=[N-])C(=O)OCC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H22N4O3/c1-24(2,32-22-11-7-4-8-12-22)25(18-26,20-13-15-21(16-14-20)28-29-27)23(30)31-17-19-9-5-3-6-10-19/h3-16H,17H2,1-2H3