methyl 4-ethyl-2-methanoyl-5-(3-oxidanyl-3-phenyl-but-1-ynyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-methanoyl-5-(3-oxidanyl-3-phenyl-but-1-ynyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-ethyl-2-formyl-5-(3-hydroxy-3-phenyl-but-1-ynyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-(3-hydroxy-3-phenylbut-1-ynyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-formyl-5-(3-hydroxy-3-phenylbut-1-ynyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-(3-hydroxy-3-phenyl-but-1-ynyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)C=O)C#CC(C)(C2=CC=CC=C2)O

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)C=O)C#CC(C)(C2=CC=CC=C2)O

InChI

InChI=1S/C19H19NO4/c1-4-14-15(20-16(12-21)17(14)18(22)24-3)10-11-19(2,23)13-8-6-5-7-9-13/h5-9,12,20,23H,4H2,1-3H3