1-[2-(2,3,5-trimethylphenoxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-(2,3,5-trimethylphenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-(2,3,5-trimethylphenoxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(2,3,5-trimethylphenoxy)ethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-(2,3,5-trimethylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,3,5-trimethylphenoxy)acetyl]isonipecotate Formula: C17H22NO4- MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4/c1-11-8-12(2)13(3)15(9-11)22-10-16(19)18-6-4-14(5-7-18)17(20)21/h8-9,14H,4-7,10H2,1-3H3,(H,20,21)/p-1