tert-butyl 5-iodanyl-3-[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-iodanyl-3-[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-[2-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]ethyl]-5-iodo-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-iodo-3-[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-iodo-3-[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 3-[2-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]ethyl]-5-iodo-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C22H29IN2O4 MolecularWeight: 512.38113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCNC(CC2=CC=CC=C2)C(=O)OC)C(=O)OC(C)(C)C)I

Isomeric SMILES

CC1=C(NC(=C1CCNC(CC2=CC=CC=C2)C(=O)OC)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C22H29IN2O4/c1-14-16(18(25-19(14)23)21(27)29-22(2,3)4)11-12-24-17(20(26)28-5)13-15-9-7-6-8-10-15/h6-10,17,24-25H,11-13H2,1-5H3