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

Systemtic Name: 5-[[2-(1-adamantylmethyl)-5-naphthalen-2-yl-1H-pyrrol-3-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(1-adamantylmethyl)-5-(2-naphthyl)-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[2-(1-adamantylmethyl)-5-(2-naphthalenyl)-1H-pyrrol-3-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(1-adamantylmethyl)-5-naphthalen-2-yl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(1-adamantylmethyl)-5-(2-naphthyl)-1H-pyrrole-3-carbonyl]amino]isophthalic acid Formula: C34H32N2O5 MolecularWeight: 548.62828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC6=CC=CC=C6C=C5)C(=O)NC7=CC(=CC(=C7)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC6=CC=CC=C6C=C5)C(=O)NC7=CC(=CC(=C7)C(=O)O)C(=O)O

InChI

InChI=1S/C34H32N2O5/c37-31(35-27-12-25(32(38)39)11-26(13-27)33(40)41)28-14-29(24-6-5-22-3-1-2-4-23(22)10-24)36-30(28)18-34-15-19-7-20(16-34)9-21(8-19)17-34/h1-6,10-14,19-21,36H,7-9,15-18H2,(H,35,37)(H,38,39)(H,40,41)