5-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]methyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]methyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]methyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]methyl]isophthalic acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NCC6=CC(=CC(=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NCC6=CC(=CC(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C31H32N2O5/c34-28(32-17-21-9-23(29(35)36)11-24(10-21)30(37)38)25-12-26(22-4-2-1-3-5-22)33-27(25)16-31-13-18-6-19(14-31)8-20(7-18)15-31/h1-5,9-12,18-20,33H,6-8,13-17H2,(H,32,34)(H,35,36)(H,37,38)