tert-butyl 3-(4-iodophenyl)-2-(1H-pyrrol-2-ylmethyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-(4-iodophenyl)-2-(1H-pyrrol-2-ylmethyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 3-(4-iodophenyl)-2-(1H-pyrrol-2-ylmethyl)pyrrole-1-carboxylate CAS Name: 3-(4-iodophenyl)-2-(1H-pyrrol-2-ylmethyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-iodophenyl)-2-(1H-pyrrol-2-ylmethyl)pyrrole-1-carboxylate Traditional Name: 3-(4-iodophenyl)-2-(1H-pyrrol-2-ylmethyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H21IN2O2 MolecularWeight: 448.29741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC(=C1CC2=CC=CN2)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC(=C1CC2=CC=CN2)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H21IN2O2/c1-20(2,3)25-19(24)23-12-10-17(14-6-8-15(21)9-7-14)18(23)13-16-5-4-11-22-16/h4-12,22H,13H2,1-3H3