sodium 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]-2-oxidanylidene-ethanoate

Systemtic Name: sodium 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]-2-oxidanylidene-ethanoate Openeye Name: sodium 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)-2-oxo-acetate CAS Name: sodium 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]-2-oxoacetate IUPAC Name: sodium 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)-2-oxoacetate Traditional Name: sodium 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)-2-keto-acetate Formula: C21H17N2NaO5 MolecularWeight: 400.35985

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)C(=O)C(=O)[O-])C(=O)C(=O)N.[Na+]

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)C(=O)C(=O)[O-])C(=O)C(=O)N.[Na+]

InChI

InChI=1S/C21H18N2O5.Na/c1-2-14-17(19(25)20(22)26)16-13(18(24)21(27)28)9-6-10-15(16)23(14)11-12-7-4-3-5-8-12;/h3-10H,2,11H2,1H3,(H2,22,26)(H,27,28);/q;+1/p-1