[4-[(4-cyanophenyl)methyl]phenoxy]methyl 2,2-dimethylbutanoate

Systemtic Name: [4-[(4-cyanophenyl)methyl]phenoxy]methyl 2,2-dimethylbutanoate Openeye Name: [4-[(4-cyanophenyl)methyl]phenoxy]methyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [4-[(4-cyanophenyl)methyl]phenoxy]methyl ester IUPAC Name: [4-[(4-cyanophenyl)methyl]phenoxy]methyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [4-(4-cyanobenzyl)phenoxy]methyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCOC1=CC=C(C=C1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C)(C)C(=O)OCOC1=CC=C(C=C1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NO3/c1-4-21(2,3)20(23)25-15-24-19-11-9-17(10-12-19)13-16-5-7-18(14-22)8-6-16/h5-12H,4,13,15H2,1-3H3