[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl

InChI

InChI=1S/C20H25ClN2O3/c1-19(2,3)12-20(4,5)23-17(24)11-26-18(25)14-10-16(21)22-15-9-7-6-8-13(14)15/h6-10H,11-12H2,1-5H3,(H,23,24)