sodium 2-[2-(2-azanylethylamino)ethylamino]-3-phenoxy-propanoate

Systemtic Name: sodium 2-[2-(2-azanylethylamino)ethylamino]-3-phenoxy-propanoate Openeye Name: sodium 2-[2-(2-aminoethylamino)ethylamino]-3-phenoxy-propanoate CAS Name: sodium 2-[2-(2-aminoethylamino)ethylamino]-3-phenoxypropanoate IUPAC Name: sodium 2-[2-(2-aminoethylamino)ethylamino]-3-phenoxypropanoate Traditional Name: sodium 2-[2-(2-aminoethylamino)ethylamino]-3-phenoxy-propionate Formula: C13H20N3NaO3 MolecularWeight: 289.30597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C(=O)[O-])NCCNCCN.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OCC(C(=O)[O-])NCCNCCN.[Na+]

InChI

InChI=1S/C13H21N3O3.Na/c14-6-7-15-8-9-16-12(13(17)18)10-19-11-4-2-1-3-5-11;/h1-5,12,15-16H,6-10,14H2,(H,17,18);/q;+1/p-1