(phenylmethyl) 4-ethyl-5-iodanyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-5-iodanyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C15H16INO2 MolecularWeight: 369.19751

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)I

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)I

InChI

InChI=1S/C15H16INO2/c1-3-12-10(2)13(17-14(12)16)15(18)19-9-11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3