tert-butyl 3-(4-iodophenyl)-2-[[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]methyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-(4-iodophenyl)-2-[[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]methyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 3-(4-iodophenyl)-2-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]methyl]pyrrole-1-carboxylate CAS Name: 3-(4-iodophenyl)-2-[[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]methyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-iodophenyl)-2-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]methyl]pyrrole-1-carboxylate Traditional Name: 3-(4-iodophenyl)-2-[(5-p-toluoyl-1H-pyrrol-2-yl)methyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C28H27IN2O3 MolecularWeight: 566.43005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)CC3=C(C=CN3C(=O)OC(C)(C)C)C4=CC=C(C=C4)I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)CC3=C(C=CN3C(=O)OC(C)(C)C)C4=CC=C(C=C4)I

InChI

InChI=1S/C28H27IN2O3/c1-18-5-7-20(8-6-18)26(32)24-14-13-22(30-24)17-25-23(19-9-11-21(29)12-10-19)15-16-31(25)27(33)34-28(2,3)4/h5-16,30H,17H2,1-4H3