5-[[3-carboxy-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[[3-carboxy-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[[3-carboxy-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoic acid CAS Name: 5-[[3-carboxy-4-(1-oxopropylamino)phenyl]methyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[[3-carboxy-4-(propanoylamino)phenyl]methyl]-2-(propanoylamino)benzoic acid Traditional Name: 5-(3-carboxy-4-propionamido-benzyl)-2-propionamido-benzoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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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)