(3-cyanophenyl) 4-tert-butylbenzoate

Systemtic Name: (3-cyanophenyl) 4-tert-butylbenzoate Openeye Name: (3-cyanophenyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-cyanophenyl) ester Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2/c1-18(2,3)15-9-7-14(8-10-15)17(20)21-16-6-4-5-13(11-16)12-19/h4-11H,1-3H3