tert-butyl (2S)-2-(2-hydroxyethyl)-4-quinolin-8-ylcarbonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(2-hydroxyethyl)-4-quinolin-8-ylcarbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-hydroxyethyl)-4-(quinoline-8-carbonyl)piperazine-1-carboxylate CAS Name: (2S)-2-(2-hydroxyethyl)-4-[oxo(8-quinolinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-hydroxyethyl)-4-(quinoline-8-carbonyl)piperazine-1-carboxylate Traditional Name: (2S)-2-(2-hydroxyethyl)-4-(quinoline-8-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCO)C(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@@H]1CCO)C(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-21(2,3)28-20(27)24-12-11-23(14-16(24)9-13-25)19(26)17-8-4-6-15-7-5-10-22-18(15)17/h4-8,10,16,25H,9,11-14H2,1-3H3/t16-/m0/s1