2-(2-oxidanylidene-2-phenylmethoxy-ethyl)-2-pyrrol-1-yl-propanedioic acid

Systemtic Name: 2-(2-oxidanylidene-2-phenylmethoxy-ethyl)-2-pyrrol-1-yl-propanedioic acid Openeye Name: 2-(2-benzyloxy-2-oxo-ethyl)-2-pyrrol-1-yl-propanedioic acid CAS Name: 2-(2-oxo-2-phenylmethoxyethyl)-2-(1-pyrrolyl)propanedioic acid IUPAC Name: 2-(2-oxo-2-phenylmethoxyethyl)-2-pyrrol-1-ylpropanedioic acid Traditional Name: 2-(2-benzoxy-2-keto-ethyl)-2-pyrrol-1-yl-malonic acid Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)O)(C(=O)O)N2C=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)O)(C(=O)O)N2C=CC=C2

InChI

InChI=1S/C16H15NO6/c18-13(23-11-12-6-2-1-3-7-12)10-16(14(19)20,15(21)22)17-8-4-5-9-17/h1-9H,10-11H2,(H,19,20)(H,21,22)