4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)phenol; (2S)-5-ketoproline Formula: C30H36ClN5O7 MolecularWeight: 614.08914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.C1CC(=O)NC1C(=O)O.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.C1CC(=O)N[C@@H]1C(=O)O.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C20H22ClN3O.2C5H7NO3/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;2*7-4-2-1-3(6-4)5(8)9/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*3H,1-2H2,(H,6,7)(H,8,9)/t;2*3-/m.00/s1