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

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-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-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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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)C3CC3

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C23H30N2O3/c1-22(2,3)14-23(4,5)25-20(26)13-28-21(27)17-12-19(15-10-11-15)24-18-9-7-6-8-16(17)18/h6-9,12,15H,10-11,13-14H2,1-5H3,(H,25,26)