2-(1-adamantyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(1-adamantyl)quinoline-4-carboxylic acid Openeye Name: 2-(1-adamantyl)quinoline-4-carboxylic acid CAS Name: 2-(1-adamantyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(1-adamantyl)quinoline-4-carboxylic acid Traditional Name: 2-(1-adamantyl)cinchoninic acid Formula: C20H21NO2 MolecularWeight: 307.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C20H21NO2/c22-19(23)16-8-18(21-17-4-2-1-3-15(16)17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2,(H,22,23)