2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carboxylic acid Openeye Name: 2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carboxylic acid CAS Name: 2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carboxylic acid Traditional Name: 2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carboxylic acid Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2/c24-21(25)18-9-19(17-4-2-1-3-5-17)23-20(18)13-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-5,9,14-16,23H,6-8,10-13H2,(H,24,25)