sodium 4-[(2-tert-butylphenyl)-ethyl-amino]butanoate

Systemtic Name: sodium 4-[(2-tert-butylphenyl)-ethyl-amino]butanoate Openeye Name: sodium 4-(2-tert-butyl-N-ethyl-anilino)butanoate CAS Name: sodium 4-(2-tert-butyl-N-ethylanilino)butanoate IUPAC Name: sodium 4-(2-tert-butyl-N-ethylanilino)butanoate Traditional Name: sodium 4-(2-tert-butyl-N-ethyl-anilino)butyrate Formula: C16H24NNaO2 MolecularWeight: 285.35703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(=O)[O-])C1=CC=CC=C1C(C)(C)C.[Na+]

Isomeric SMILES

CCN(CCCC(=O)[O-])C1=CC=CC=C1C(C)(C)C.[Na+]

InChI

InChI=1S/C16H25NO2.Na/c1-5-17(12-8-11-15(18)19)14-10-7-6-9-13(14)16(2,3)4;/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,18,19);/q;+1/p-1