[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3/c30-25(27-13-17-9-18(14-27)11-19(10-17)15-27)16-32-26(31)22-12-24(20-5-7-28-8-6-20)29-23-4-2-1-3-21(22)23/h1-8,12,17-19H,9-11,13-16H2