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

Systemtic Name: ethyl 2-(1-adamantyl)quinoline-4-carboxylate Openeye Name: ethyl 2-(1-adamantyl)quinoline-4-carboxylate CAS Name: 2-(1-adamantyl)-4-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantyl)quinoline-4-carboxylate Traditional Name: 2-(1-adamantyl)cinchoninic acid ethyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=CC=CC=C21)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=CC=CC=C21)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25NO2/c1-2-25-21(24)18-10-20(23-19-6-4-3-5-17(18)19)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16H,2,7-9,11-13H2,1H3