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

Systemtic Name: tert-butyl (2S)-2-[[(4-chloranyl-2-methyl-quinolin-7-yl)carbonylamino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(4-chloro-2-methyl-quinoline-7-carbonyl)amino]methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(4-chloro-2-methyl-7-quinolinyl)-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(4-chloro-2-methylquinoline-7-carbonyl)amino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(4-chloro-2-methyl-quinoline-7-carbonyl)amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCN3C(=O)OC(C)(C)C)C(=C1)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)C(=C1)Cl

InChI

InChI=1S/C21H26ClN3O3/c1-13-10-17(22)16-8-7-14(11-18(16)24-13)19(26)23-12-15-6-5-9-25(15)20(27)28-21(2,3)4/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,23,26)/t15-/m0/s1