tert-butyl 2-(hydroxymethyl)-3-(4-iodophenyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(hydroxymethyl)-3-(4-iodophenyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(hydroxymethyl)-3-(4-iodophenyl)pyrrole-1-carboxylate CAS Name: 2-(hydroxymethyl)-3-(4-iodophenyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hydroxymethyl)-3-(4-iodophenyl)pyrrole-1-carboxylate Traditional Name: 3-(4-iodophenyl)-2-methylol-pyrrole-1-carboxylic acid tert-butyl ester Formula: C16H18INO3 MolecularWeight: 399.22349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC(=C1CO)C2=CC=C(C=C2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC(=C1CO)C2=CC=C(C=C2)I

InChI

InChI=1S/C16H18INO3/c1-16(2,3)21-15(20)18-9-8-13(14(18)10-19)11-4-6-12(17)7-5-11/h4-9,19H,10H2,1-3H3