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

Systemtic Name: tert-butyl (2S)-2-(2-propoxyethyl)-4-quinolin-8-ylcarbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-propoxyethyl)-4-(quinoline-8-carbonyl)piperazine-1-carboxylate CAS Name: (2S)-4-[oxo(8-quinolinyl)methyl]-2-(2-propoxyethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-propoxyethyl)-4-(quinoline-8-carbonyl)piperazine-1-carboxylate Traditional Name: (2S)-2-(2-propoxyethyl)-4-(quinoline-8-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCC1CN(CCN1C(=O)OC(C)(C)C)C(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCOCC[C@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C24H33N3O4/c1-5-15-30-16-11-19-17-26(13-14-27(19)23(29)31-24(2,3)4)22(28)20-10-6-8-18-9-7-12-25-21(18)20/h6-10,12,19H,5,11,13-17H2,1-4H3/t19-/m0/s1