5-[[3-carboxylato-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoate

Systemtic Name: 5-[[3-carboxylato-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoate Openeye Name: 5-[[3-carboxylato-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoate CAS Name: 5-[[3-carboxylato-4-(1-oxopropylamino)phenyl]methyl]-2-(1-oxopropylamino)benzoate IUPAC Name: 5-[[3-carboxylato-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoate Traditional Name: 5-(3-carboxylato-4-propionamido-benzyl)-2-propionamido-benzoate Formula: C21H20N2O6-2 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)CC)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)CC)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-3-18(24)22-16-7-5-12(10-14(16)20(26)27)9-13-6-8-17(23-19(25)4-2)15(11-13)21(28)29/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/p-2