1-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-tert-butyl-4-methylphenoxy)-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]isonipecotate Formula: C19H26NO4- MolecularWeight: 332.41404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C19H27NO4/c1-13-5-6-16(15(11-13)19(2,3)4)24-12-17(21)20-9-7-14(8-10-20)18(22)23/h5-6,11,14H,7-10,12H2,1-4H3,(H,22,23)/p-1