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

Systemtic Name: 2-(1-adamantyl)-6-bromanyl-quinoline-4-carboxylic acid Openeye Name: 2-(1-adamantyl)-6-bromo-quinoline-4-carboxylic acid CAS Name: 2-(1-adamantyl)-6-bromo-4-quinolinecarboxylic acid IUPAC Name: 2-(1-adamantyl)-6-bromoquinoline-4-carboxylic acid Traditional Name: 2-(1-adamantyl)-6-bromo-cinchoninic acid Formula: C20H20BrNO2 MolecularWeight: 386.2823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

InChI

InChI=1S/C20H20BrNO2/c21-14-1-2-17-15(6-14)16(19(23)24)7-18(22-17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6-7,11-13H,3-5,8-10H2,(H,23,24)