methyl 2-(2-adamantyl)quinoline-3-carboxylate

Systemtic Name: methyl 2-(2-adamantyl)quinoline-3-carboxylate Openeye Name: methyl 2-(2-adamantyl)quinoline-3-carboxylate CAS Name: 2-(2-adamantyl)-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantyl)quinoline-3-carboxylate Traditional Name: 2-(2-adamantyl)quinoline-3-carboxylic acid methyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2N=C1C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2N=C1C3C4CC5CC(C4)CC3C5

InChI

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