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

Systemtic Name: 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]isophthalic acid Formula: C30H30N2O5 MolecularWeight: 498.5696

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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)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C30H30N2O5/c33-27(31-23-10-21(28(34)35)9-22(11-23)29(36)37)24-12-25(20-4-2-1-3-5-20)32-26(24)16-30-13-17-6-18(14-30)8-19(7-17)15-30/h1-5,9-12,17-19,32H,6-8,13-16H2,(H,31,33)(H,34,35)(H,36,37)