5-(4-tert-butylphenyl)pyridine-3-carboxylate

Systemtic Name: 5-(4-tert-butylphenyl)pyridine-3-carboxylate Openeye Name: 5-(4-tert-butylphenyl)pyridine-3-carboxylate CAS Name: 5-(4-tert-butylphenyl)-3-pyridinecarboxylate IUPAC Name: 5-(4-tert-butylphenyl)pyridine-3-carboxylate Traditional Name: 5-(4-tert-butylphenyl)nicotinate Formula: C16H16NO2- MolecularWeight: 254.30374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)[O-]

InChI

InChI=1S/C16H17NO2/c1-16(2,3)14-6-4-11(5-7-14)12-8-13(15(18)19)10-17-9-12/h4-10H,1-3H3,(H,18,19)/p-1