sodium 5-[(2,6-dimethylphenyl)-ethyl-amino]pentanoate

Systemtic Name: sodium 5-[(2,6-dimethylphenyl)-ethyl-amino]pentanoate Openeye Name: sodium 5-(N-ethyl-2,6-dimethyl-anilino)pentanoate CAS Name: sodium 5-(N-ethyl-2,6-dimethylanilino)pentanoate IUPAC Name: sodium 5-(N-ethyl-2,6-dimethylanilino)pentanoate Traditional Name: sodium 5-(N-ethyl-2,6-dimethyl-anilino)valerate Formula: C15H22NNaO2 MolecularWeight: 271.33045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2.Na/c1-4-16(11-6-5-10-14(17)18)15-12(2)8-7-9-13(15)3;/h7-9H,4-6,10-11H2,1-3H3,(H,17,18);/q;+1/p-1