tert-butyl (2S)-2-[[(4-chloranylquinolin-7-yl)carbonylamino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(4-chloranylquinolin-7-yl)carbonylamino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(4-chloroquinoline-7-carbonyl)amino]methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(4-chloro-7-quinolinyl)-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(4-chloroquinoline-7-carbonyl)amino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(4-chloroquinoline-7-carbonyl)amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CNC(=O)C2=CC3=NC=CC(=C3C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C2=CC3=NC=CC(=C3C=C2)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-20(2,3)27-19(26)24-10-4-5-14(24)12-23-18(25)13-6-7-15-16(21)8-9-22-17(15)11-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,23,25)/t14-/m0/s1