O4-ethyl O2-(phenylmethyl) 5-(3-ethoxy-3-oxidanylidene-propanoyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(phenylmethyl) 5-(3-ethoxy-3-oxidanylidene-propanoyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-benzyl O4-ethyl 5-(3-ethoxy-3-oxo-propanoyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-(3-ethoxy-1,3-dioxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-ethyl 5-(3-ethoxy-3-oxopropanoyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-(3-ethoxy-3-keto-propanoyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-benzyl ester O4-ethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)C1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C(=O)OCC

InChI

InChI=1S/C21H23NO7/c1-4-27-16(24)11-15(23)19-17(20(25)28-5-2)13(3)18(22-19)21(26)29-12-14-9-7-6-8-10-14/h6-10,22H,4-5,11-12H2,1-3H3