5-(1-adamantyl)-1,2-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-(1-adamantyl)-1,2-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 5-(1-adamantyl)-1,2-dimethyl-pyrrole-3-carboxylic acid CAS Name: 5-(1-adamantyl)-1,2-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 5-(1-adamantyl)-1,2-dimethylpyrrole-3-carboxylic acid Traditional Name: 5-(1-adamantyl)-1,2-dimethyl-pyrrole-3-carboxylic acid Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C)C23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C17H23NO2/c1-10-14(16(19)20)6-15(18(10)2)17-7-11-3-12(8-17)5-13(4-11)9-17/h6,11-13H,3-5,7-9H2,1-2H3,(H,19,20)