4-(1-adamantyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(1-adamantyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(1-adamantyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-(1-adamantyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(1-adamantyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(1-adamantyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C=C(C=C1C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H21NO2/c1-17-9-13(5-14(17)15(18)19)16-6-10-2-11(7-16)4-12(3-10)8-16/h5,9-12H,2-4,6-8H2,1H3,(H,18,19)