2-acetamido-2-[3-oxidanylidene-3-(4-phenoxyphenyl)propyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[3-oxidanylidene-3-(4-phenoxyphenyl)propyl]propanedioic acid Openeye Name: 2-acetamido-2-[3-oxo-3-(4-phenoxyphenyl)propyl]propanedioic acid CAS Name: 2-acetamido-2-[3-oxo-3-(4-phenoxyphenyl)propyl]propanedioic acid IUPAC Name: 2-acetamido-2-[3-oxo-3-(4-phenoxyphenyl)propyl]propanedioic acid Traditional Name: 2-acetamido-2-[3-keto-3-(4-phenoxyphenyl)propyl]malonic acid Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H19NO7/c1-13(22)21-20(18(24)25,19(26)27)12-11-17(23)14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,21,22)(H,24,25)(H,26,27)