5-(3-phenylpropanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: 5-(3-phenylpropanoylamino)benzene-1,3-dicarboxylate Openeye Name: 5-(3-phenylpropanoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[(1-oxo-3-phenylpropyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-(3-phenylpropanoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(hydrocinnamoylamino)isophthalate Formula: C17H13NO5-2 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H15NO5/c19-15(7-6-11-4-2-1-3-5-11)18-14-9-12(16(20)21)8-13(10-14)17(22)23/h1-5,8-10H,6-7H2,(H,18,19)(H,20,21)(H,22,23)/p-2