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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

InChI

InChI=1S/C27H27N3O3/c31-25(30-27-13-17-9-18(14-27)11-19(10-17)15-27)16-33-26(32)21-12-24(23-7-3-4-8-28-23)29-22-6-2-1-5-20(21)22/h1-8,12,17-19H,9-11,13-16H2,(H,30,31)