2-(1-adamantyl)quinoline-4-carboxylate

Systemtic Name: 2-(1-adamantyl)quinoline-4-carboxylate Openeye Name: 2-(1-adamantyl)quinoline-4-carboxylate CAS Name: 2-(1-adamantyl)-4-quinolinecarboxylate IUPAC Name: 2-(1-adamantyl)quinoline-4-carboxylate Traditional Name: 2-(1-adamantyl)cinchoninate Formula: C20H20NO2- MolecularWeight: 306.3783

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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)/p-1