[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H26ClNO3 MolecularWeight: 459.96394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6Cl

InChI

InChI=1S/C28H26ClNO3/c29-23-7-3-1-6-21(23)25-12-22(20-5-2-4-8-24(20)30-25)27(32)33-16-26(31)28-13-17-9-18(14-28)11-19(10-17)15-28/h1-8,12,17-19H,9-11,13-16H2