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

Systemtic Name: 5-[3-carboxylato-4-(propanoylamino)phenyl]-2-(propanoylamino)benzoate Openeye Name: 5-[3-carboxylato-4-(propanoylamino)phenyl]-2-(propanoylamino)benzoate CAS Name: 5-[3-carboxylato-4-(1-oxopropylamino)phenyl]-2-(1-oxopropylamino)benzoate IUPAC Name: 5-[3-carboxylato-4-(propanoylamino)phenyl]-2-(propanoylamino)benzoate Traditional Name: 5-(3-carboxylato-4-propionamido-phenyl)-2-propionamido-benzoate Formula: C20H18N2O6-2 MolecularWeight: 382.36672

Click to see the large picture

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)/p-2