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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCC4=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)CCC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

InChI

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