[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H26BrNO3 MolecularWeight: 504.41494

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=C6)Br

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrNO3/c29-21-5-3-4-20(11-21)25-12-23(22-6-1-2-7-24(22)30-25)27(32)33-16-26(31)28-13-17-8-18(14-28)10-19(9-17)15-28/h1-7,11-12,17-19H,8-10,13-16H2