[cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylbutanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylbutanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C20H21NO3/c1-20(2,3)13-19(22)24-18(14-21)15-8-7-11-17(12-15)23-16-9-5-4-6-10-16/h4-12,18H,13H2,1-3H3