sodium 2-[(phenylmethyl)-prop-2-ynyl-amino]benzoate

Systemtic Name: sodium 2-[(phenylmethyl)-prop-2-ynyl-amino]benzoate Openeye Name: sodium 2-[benzyl(prop-2-ynyl)amino]benzoate CAS Name: sodium 2-[(phenylmethyl)-prop-2-ynylamino]benzoate IUPAC Name: sodium 2-[benzyl(prop-2-ynyl)amino]benzoate Traditional Name: sodium 2-[benzyl(propargyl)amino]benzoate Formula: C17H14NNaO2 MolecularWeight: 287.28833

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)[O-].[Na+]

Isomeric SMILES

C#CCN(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)[O-].[Na+]

InChI

InChI=1S/C17H15NO2.Na/c1-2-12-18(13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(19)20;/h1,3-11H,12-13H2,(H,19,20);/q;+1/p-1