ethyl 2-methyl-4-(1,2,4-triacetyloxy-3-oxidanyl-butyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-(1,2,4-triacetyloxy-3-oxidanyl-butyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-4-(1,2,4-triacetoxy-3-hydroxy-butyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-4-(1,2,4-triacetyloxy-3-hydroxybutyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(1,2,4-triacetyloxy-3-hydroxybutyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-4-(1,2,4-triacetoxy-3-hydroxy-butyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H25NO9 MolecularWeight: 399.3924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C18H25NO9/c1-6-25-18(24)15-9(2)19-7-13(15)16(27-11(4)21)17(28-12(5)22)14(23)8-26-10(3)20/h7,14,16-17,19,23H,6,8H2,1-5H3