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

Systemtic Name: 5-[3-carboxy-4-(propanoylamino)phenyl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[3-carboxy-4-(propanoylamino)phenyl]-2-(propanoylamino)benzoic acid CAS Name: 5-[3-carboxy-4-(1-oxopropylamino)phenyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[3-carboxy-4-(propanoylamino)phenyl]-2-(propanoylamino)benzoic acid Traditional Name: 5-(3-carboxy-4-propionamido-phenyl)-2-propionamido-benzoic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CC)C(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CC)C(=O)O)C(=O)O

InChI

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