2-(1-adamantyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(1-adamantyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(1-adamantyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(1-adamantyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(1-adamantyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(1-adamantyl)-6-methyl-cinchoninate Formula: C21H22NO2- MolecularWeight: 320.40488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

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