(phenylmethyl) 5-iodanyl-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-iodanyl-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-iodo-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-iodo-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-iodo-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-iodo-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H18INO4 MolecularWeight: 427.23359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)I)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)I)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H18INO4/c1-11-13(8-9-14(20)22-2)16(18)19-15(11)17(21)23-10-12-6-4-3-5-7-12/h3-7,19H,8-10H2,1-2H3