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

Systemtic Name: methyl 2-(1-adamantyl)quinoline-4-carboxylate Openeye Name: methyl 2-(1-adamantyl)quinoline-4-carboxylate CAS Name: 2-(1-adamantyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-adamantyl)quinoline-4-carboxylate Traditional Name: 2-(1-adamantyl)cinchoninic acid methyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2/c1-24-20(23)17-9-19(22-18-5-3-2-4-16(17)18)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,9,13-15H,6-8,10-12H2,1H3