[5-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-3-yl] 3,3-dimethylbutanoate

Systemtic Name: [5-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-3-yl] 3,3-dimethylbutanoate Openeye Name: [5-(4-cyanophenyl)-4,5-dihydroisoxazol-3-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [5-(4-cyanophenyl)-4,5-dihydroisoxazol-3-yl] ester IUPAC Name: [5-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-3-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [5-(4-cyanophenyl)-2-isoxazolin-3-yl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=NOC(C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)CC(=O)OC1=NOC(C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H18N2O3/c1-16(2,3)9-15(19)20-14-8-13(21-18-14)12-6-4-11(10-17)5-7-12/h4-7,13H,8-9H2,1-3H3