(2-cyanopyridin-4-yl)methyl 4-tert-butylbenzoate

Systemtic Name: (2-cyanopyridin-4-yl)methyl 4-tert-butylbenzoate Openeye Name: (2-cyano-4-pyridyl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (2-cyano-4-pyridinyl)methyl ester IUPAC Name: (2-cyanopyridin-4-yl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-cyano-4-pyridyl)methyl ester Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC(=NC=C2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC(=NC=C2)C#N

InChI

InChI=1S/C18H18N2O2/c1-18(2,3)15-6-4-14(5-7-15)17(21)22-12-13-8-9-20-16(10-13)11-19/h4-10H,12H2,1-3H3