O4-ethyl O2-(phenylmethyl) 5-[(E)-3-ethoxy-3-oxidanyl-prop-2-enoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(phenylmethyl) 5-[(E)-3-ethoxy-3-oxidanyl-prop-2-enoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-benzyl O4-ethyl 5-[(E)-3-ethoxy-3-hydroxy-prop-2-enoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(E)-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-ethyl 5-[(E)-3-ethoxy-3-hydroxyprop-2-enoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(E)-3-ethoxy-3-hydroxy-acryloyl]-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(=CC(=O)C1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C(=O)OCC)O

Isomeric SMILES

CCO/C(=C/C(=O)C1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C(=O)OCC)/O

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/h6-11,22,24H,4-5,12H2,1-3H3/b16-11+