2-(2-tert-butyl-5-methyl-phenoxy)pyridine-3-carboxylate

Systemtic Name: 2-(2-tert-butyl-5-methyl-phenoxy)pyridine-3-carboxylate Openeye Name: 2-(2-tert-butyl-5-methyl-phenoxy)pyridine-3-carboxylate CAS Name: 2-(2-tert-butyl-5-methylphenoxy)-3-pyridinecarboxylate IUPAC Name: 2-(2-tert-butyl-5-methylphenoxy)pyridine-3-carboxylate Traditional Name: 2-(2-tert-butyl-5-methyl-phenoxy)nicotinate Formula: C17H18NO3- MolecularWeight: 284.32972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C17H19NO3/c1-11-7-8-13(17(2,3)4)14(10-11)21-15-12(16(19)20)6-5-9-18-15/h5-10H,1-4H3,(H,19,20)/p-1