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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1CC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CN1C(=CC(=C1CC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C31H32N2O5/c1-33-26(21-5-3-2-4-6-21)13-25(27(33)17-31-14-18-7-19(15-31)9-20(8-18)16-31)28(34)32-24-11-22(29(35)36)10-23(12-24)30(37)38/h2-6,10-13,18-20H,7-9,14-17H2,1H3,(H,32,34)(H,35,36)(H,37,38)