sodium 4-[[2-ethoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoate

Systemtic Name: sodium 4-[[2-ethoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoate Openeye Name: sodium 4-[[2-ethoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoate CAS Name: sodium 4-[[2-ethoxycarbonyl-5-(1-oxopropylamino)anilino]-oxomethyl]benzoate IUPAC Name: sodium 4-[[2-ethoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoate Traditional Name: sodium 4-[(2-carbethoxy-5-propionamido-phenyl)carbamoyl]benzoate Formula: C20H19N2NaO6 MolecularWeight: 406.36443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H20N2O6.Na/c1-3-17(23)21-14-9-10-15(20(27)28-4-2)16(11-14)22-18(24)12-5-7-13(8-6-12)19(25)26;/h5-11H,3-4H2,1-2H3,(H,21,23)(H,22,24)(H,25,26);/q;+1/p-1