2-(1-adamantyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1-adamantyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(1-adamantyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(1-adamantyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1-adamantyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(1-adamantyl)-6-methyl-cinchoninic acid Formula: C21H23NO2 MolecularWeight: 321.41282

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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)