2-(1-adamantyl)-6-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(1-adamantyl)-6-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(1-adamantyl)-6-(4-carboxy-2-quinolyl)quinoline-4-carboxylic acid CAS Name: 2-(1-adamantyl)-6-(4-carboxy-2-quinolinyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(1-adamantyl)-6-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid Traditional Name: 2-(1-adamantyl)-6-(4-carboxy-2-quinolyl)cinchoninic acid Formula: C30H26N2O4 MolecularWeight: 478.53844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C(C=C5)C6=NC7=CC=CC=C7C(=C6)C(=O)O)C(=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C(C=C5)C6=NC7=CC=CC=C7C(=C6)C(=O)O)C(=C4)C(=O)O

InChI

InChI=1S/C30H26N2O4/c33-28(34)22-11-26(31-24-4-2-1-3-20(22)24)19-5-6-25-21(10-19)23(29(35)36)12-27(32-25)30-13-16-7-17(14-30)9-18(8-16)15-30/h1-6,10-12,16-18H,7-9,13-15H2,(H,33,34)(H,35,36)