2-(3-azanyl-1-adamantyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(3-azanyl-1-adamantyl)quinoline-4-carboxylic acid Openeye Name: 2-(3-amino-1-adamantyl)quinoline-4-carboxylic acid CAS Name: 2-(3-amino-1-adamantyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-amino-1-adamantyl)quinoline-4-carboxylic acid Traditional Name: 2-(3-amino-1-adamantyl)cinchoninic acid Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N)C4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N)C4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C20H22N2O2/c21-20-9-12-5-13(10-20)8-19(7-12,11-20)17-6-15(18(23)24)14-3-1-2-4-16(14)22-17/h1-4,6,12-13H,5,7-11,21H2,(H,23,24)