3-(2-phenylethanoylamino)propane-1,1,3-tricarboxylic acid

Systemtic Name: 3-(2-phenylethanoylamino)propane-1,1,3-tricarboxylic acid Openeye Name: 3-[(2-phenylacetyl)amino]propane-1,1,3-tricarboxylic acid CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propane-1,1,3-tricarboxylic acid IUPAC Name: 3-[(2-phenylacetyl)amino]propane-1,1,3-tricarboxylic acid Traditional Name: 3-[(2-phenylacetyl)amino]propane-1,1,3-tricarboxylic acid Formula: C14H15NO7 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(CC(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO7/c16-11(6-8-4-2-1-3-5-8)15-10(14(21)22)7-9(12(17)18)13(19)20/h1-5,9-10H,6-7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)