bis(phenylmethyl) 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C44H42N2O5 MolecularWeight: 678.81468

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)OCC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)OCC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C44H42N2O5/c47-41(38-22-39(34-14-8-3-9-15-34)46-40(38)26-44-23-31-16-32(24-44)18-33(17-31)25-44)45-37-20-35(42(48)50-27-29-10-4-1-5-11-29)19-36(21-37)43(49)51-28-30-12-6-2-7-13-30/h1-15,19-22,31-33,46H,16-18,23-28H2,(H,45,47)