2-(1-adamantyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-(1-adamantyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid Openeye Name: 2-(1-adamantyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid CAS Name: 2-(1-adamantyl)-1-methyl-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 2-(1-adamantyl)-1-methyl-5-phenylpyrrole-3-carboxylic acid Traditional Name: 2-(1-adamantyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid Formula: C22H25NO2 MolecularWeight: 335.4394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C23CC4CC(C2)CC(C4)C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CN1C(=CC(=C1C23CC4CC(C2)CC(C4)C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C22H25NO2/c1-23-19(17-5-3-2-4-6-17)10-18(21(24)25)20(23)22-11-14-7-15(12-22)9-16(8-14)13-22/h2-6,10,14-16H,7-9,11-13H2,1H3,(H,24,25)