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

Systemtic Name: tert-butyl 2-[[5-(3,5-ditert-butylphenyl)carbonyl-1H-pyrrol-2-yl]methyl]-3-(4-iodophenyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[[5-(3,5-ditert-butylbenzoyl)-1H-pyrrol-2-yl]methyl]-3-(4-iodophenyl)pyrrole-1-carboxylate CAS Name: 2-[[5-[(3,5-ditert-butylphenyl)-oxomethyl]-1H-pyrrol-2-yl]methyl]-3-(4-iodophenyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(3,5-ditert-butylbenzoyl)-1H-pyrrol-2-yl]methyl]-3-(4-iodophenyl)pyrrole-1-carboxylate Traditional Name: 2-[[5-(3,5-ditert-butylbenzoyl)-1H-pyrrol-2-yl]methyl]-3-(4-iodophenyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C35H41IN2O3 MolecularWeight: 664.61611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H41IN2O3/c1-33(2,3)24-18-23(19-25(20-24)34(4,5)6)31(39)29-15-14-27(37-29)21-30-28(22-10-12-26(36)13-11-22)16-17-38(30)32(40)41-35(7,8)9/h10-20,37H,21H2,1-9H3