sodium 2-(2-benzamidoethanoyloxy)-3-phenyl-propanoate

Systemtic Name: sodium 2-(2-benzamidoethanoyloxy)-3-phenyl-propanoate Openeye Name: sodium 2-(2-benzamidoacetyl)oxy-3-phenyl-propanoate CAS Name: sodium 2-(2-benzamido-1-oxoethoxy)-3-phenylpropanoate IUPAC Name: sodium 2-(2-benzamidoacetyl)oxy-3-phenylpropanoate Traditional Name: sodium 2-hippuroyloxy-3-phenyl-propionate Formula: C18H16NNaO5 MolecularWeight: 349.31311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])OC(=O)CNC(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])OC(=O)CNC(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C18H17NO5.Na/c20-16(12-19-17(21)14-9-5-2-6-10-14)24-15(18(22)23)11-13-7-3-1-4-8-13;/h1-10,15H,11-12H2,(H,19,21)(H,22,23);/q;+1/p-1