O4-methyl O2-(phenylmethyl) 5-(acetyloxymethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-(phenylmethyl) 5-(acetyloxymethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-benzyl O4-methyl 5-(acetoxymethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-(acetyloxymethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-methyl 5-(acetyloxymethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-(acetoxymethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2,4-dicarboxylic acid O2-benzyl ester O4-methyl ester Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)OCC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C21H23NO8/c1-13(23)29-12-16-18(20(25)28-3)15(9-10-17(24)27-2)19(22-16)21(26)30-11-14-7-5-4-6-8-14/h4-8,22H,9-12H2,1-3H3