sodium 1-[2-(2-ethoxyphenyl)ethyl]-4-phenylazanyl-piperidine-4-carboxylate

Systemtic Name: sodium 1-[2-(2-ethoxyphenyl)ethyl]-4-phenylazanyl-piperidine-4-carboxylate Openeye Name: sodium 4-anilino-1-[2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxylate CAS Name: sodium 4-anilino-1-[2-(2-ethoxyphenyl)ethyl]-4-piperidinecarboxylate IUPAC Name: sodium 4-anilino-1-[2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxylate Traditional Name: sodium 4-anilino-1-(2-o-phenetylethyl)isonipecotate Formula: C22H27N2NaO3 MolecularWeight: 390.45115

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCN2CCC(CC2)(C(=O)[O-])NC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCOC1=CC=CC=C1CCN2CCC(CC2)(C(=O)[O-])NC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H28N2O3.Na/c1-2-27-20-11-7-6-8-18(20)12-15-24-16-13-22(14-17-24,21(25)26)23-19-9-4-3-5-10-19;/h3-11,23H,2,12-17H2,1H3,(H,25,26);/q;+1/p-1