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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c23-19-8-17(16-3-1-2-4-18(16)24-19)21(27)28-12-20(26)25-22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,8,13-15H,5-7,9-12H2,(H,25,26)