methyl (2S)-1-[(2-azanyl-6-chloranyl-quinolin-3-yl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2-azanyl-6-chloranyl-quinolin-3-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2-amino-6-chloro-3-quinolyl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2-amino-6-chloro-3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2-amino-6-chloroquinolin-3-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2-amino-6-chloro-3-quinolyl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC2=C(N=C3C=CC(=CC3=C2)Cl)N

Isomeric SMILES

COC(=O)[C@@H]1CCCN1CC2=C(N=C3C=CC(=CC3=C2)Cl)N

InChI

InChI=1S/C16H18ClN3O2/c1-22-16(21)14-3-2-6-20(14)9-11-7-10-8-12(17)4-5-13(10)19-15(11)18/h4-5,7-8,14H,2-3,6,9H2,1H3,(H2,18,19)/t14-/m0/s1